| LINCS ID: | LPC-1001 |
| Catalog No: | C-12810 |
| Lot No: | 3042901.2 |
| Subject Age: | 54 |
| Subject Sex: | Male |
| Subject Race: | Caucasian |
| Doubling Time: | 65.4 hours |
| Creation: | 09/2011 (Manufacturer) |
| P2 Thaw: | 08/2014 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LPC-1002 |
| Catalog No: | C-12810 |
| Lot No: | 4031101.3 |
| Subject Age: | 62 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Doubling Time: | 80.6 hours |
| Creation Date: | 10/2013 (Manufacturer) |
| P2 Thaw: | 12/2014 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LPC-1003 |
| Catalog No: | C-12810 |
| Lot No: | 2082801.2 |
| Subject Age: | 61 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Doubling Time: | 77.8 hours |
| Creation: | 09/2011 (Manufacturer) |
| P2 Thaw: | 12/2014 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LPC-1004 |
| Catalog No: | C-12810 |
| Lot No: | 2120301.2 |
| Subject Age: | 56 |
| Subject Sex: | Male |
| Subject Race: | Caucasian |
| Doubling Time: | 62.8 hours |
| Creation: | 09/2011 (Manufacturer) |
| P2 Thaw: | 02/2015 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LPC-1005 |
| Catalog No: | C-12810 |
| Lot No: | 2061201.4 |
| Subject Age: | 41 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Doubling Time: | 39.1 hours |
| Creation: | 09/2011 (Manufacturer) |
| P2 Thaw: | 03/2015 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LPC-1006 |
| Catalog No: | C-12810 |
| Lot No: | 1092301.2 |
| Subject Age: | 31 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Doubling Time: | 39.1 hours |
| Creation: | 09/2011 (Manufacturer) |
| P2 Thaw: | 02/2015 (DToxS) |
| Quality Assurance/Control Steps | |
| qRT-PCR: | Assessment of differentiation markers |
| Electrophysiology: | Measurements of calcium dynamics |
| Immunofluorescence: | α - Sarcomeric Actinin Expression |
| LINCS ID: | LSC-1013 |
| Subject ID: | MSN01 |
| Clone #: | 3 |
| Subject Age (at biopsy): | 33 |
| Subject Sex: | Male |
| Subject Race: | Caucasian |
| Date of Consent: | 1/16/2015 |
| Date of Health Evaluation: | 1/29/2015 |
| Date of Skin Biopsy: | 4/9/2015 |
| Date of Reprogramming: | 5/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 34.9 ± 0.7 (n=3) |
| LINCS ID: | LSC-1014 |
| Subject ID: | MSN03 |
| Clone #: | 7 |
| Subject Age (at biopsy): | 28 |
| Subject Sex: | Female |
| Subject Race: | Asian |
| Date of Consent: | 1/16/2015 |
| Date of Health Evaluation: | 1/28/2015 |
| Date of Skin Biopsy: | 3/12/2015 |
| Date of Reprogramming: | 5/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 30.8 ± 1.3 (n=3) |
| LINCS ID: | LSC-1015 |
| Subject ID: | MSN05 |
| Clone #: | 1 |
| Subject Age (at biopsy): | 43 |
| Subject Sex: | Female |
| Subject Race: | Asian |
| Date of Consent: | 3/2/2015 |
| Date of Health Evaluation: | 3/10/2015 |
| Date of Skin Biopsy: | 3/12/2015 |
| Date of Reprogramming: | 5/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 40.8 ± 1.8 (n=3) |
| LINCS ID: | LSC-1016 |
| Subject ID: | MSN06 |
| Clone #: | 7 |
| Subject Age (at biopsy): | 38 |
| Subject Sex: | Male |
| Subject Race: | Hispanic/Caucasian |
| Date of Consent: | 2/2/2015 |
| Date of Health Evaluation: | 2/5/2015 |
| Date of Skin Biopsy: | 4/9/2015 |
| Date of Reprogramming: | 5/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 36.6 ± 1.1 (n=3) |
| LINCS ID: | LSC-1017 |
| Subject ID: | MSN02 |
| Clone #: | 4 |
| Subject Age (at biopsy): | 36 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Date of Consent: | 1/20/2015 |
| Date of Health Evaluation: | 1/28/2015 |
| Date of Skin Biopsy: | 3/12/2015 |
| Date of Reprogramming: | 5/18/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 38.6 ± 0.9 (n=3) |
| LINCS ID: | LSC-1018 |
| Subject ID: | MSN08 |
| Clone #: | 13 |
| Subject Age (at biopsy): | 23 |
| Subject Sex: | Male |
| Subject Race: | Caucasian |
| Date of Consent: | 3/11/2015 |
| Date of Health Evaluation: | 3/17/2015 |
| Date of Skin Biopsy: | 4/9/2015 |
| Date of Reprogramming: | 5/18/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 29.6 ± 1.5 (n=3) |
| LINCS ID: | LSC-1019 |
| Subject ID: | MSN09 |
| Clone #: | 4 |
| Subject Age (at biopsy): | 25 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Date of Consent: | 3/10/2015 |
| Date of Health Evaluation: | 3/19/2015 |
| Date of Skin Biopsy: | 4/23/2015 |
| Date of Reprogramming: | 8/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | Pluri-Raw Score: 27.2 ± 0.6 (n=3) |
| LINCS ID: | LSC-1020 |
| Subject ID: | MSN10 |
| Clone #: | 1 |
| Subject Age (at biopsy): | 28 |
| Subject Sex: | Female |
| Subject Race: | Caucasian |
| Date of Consent: | 3/19/2015 |
| Date of Health Evaluation: | 3/26/2015 |
| Date of Skin Biopsy: | 4/23/2015 |
| Date of Reprogramming: | 8/8/2015 |
| Reprogramming Method: | mRNA with miRNA boost |
| Quality Assurance/Control Steps | |
| Karyotype | G-banded karyotyping |
| Pluritest | |
DToxS Center focuses on generating cellular signatures from two different types of drugs: (1) offending drugs that are associated with toxic adverse events such as cardio-, hepato- or neurotoxicity, color-coded in maroon; and (2) mitigating drugs that may be alleviating the adverse effects of offending drugs, color-coded in orange.
offending drug
mitigating drugs
| Internal ID: | AFA |
| LINCS ID: | LSM-5742 |
| Brand Name: | Gilotrif |
| Common In Vivo Dose: | 40 mg |
| Half-life (hrs): | 37 |
| Molecular Weight: | 486.0 |
| Cmax (ng/mL): | 30.7 |
| Cmax (uM): | 0.06 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.05 |
| Solvent: | DMSO |
| Drug Form: | Sodium trihydrate |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD12407405 |
| Lot No: | 244500168 |
| PubChem ID: | CID 57519523 |
| SMILES: | Fc1c(cc(cc1)Nc2ncnc3c2cc(c(c3) O[C@@H]4COCC4)NC(=O)\C=C\CN(C)C)Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | ALE |
| LINCS ID: | LSM-36379 |
| Brand Name: | Fosamax |
| Common In Vivo Dose: | 5 mg |
| Half-life (hrs): | 1.67 |
| Molecular Weight: | 325.12 |
| Cmax (ng/mL): | 40.94 |
| Cmax (uM): | 0.2 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.25 |
| Solvent: | Water |
| Drug Form: | Sodium trihydrate |
| Vendor: | Sigma Aldrich |
| Catalog No: | A4978-100MG |
| Lot No: | 084M4705V |
| PubChem ID: | SID 24724391 |
| SMILES: | C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+] |
| Internal ID: | AMI |
| LINCS ID: | LSM-36384 |
| Brand Name: | Cordarone |
| Common In Vivo Dose: | 400 mg |
| Half-life (hrs): | 216 - 864 |
| Molecular Weight: | 681.77 |
| Cmax (ng/mL): | 290 |
| Cmax (uM): | 0.4 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.5 |
| Solvent: | DMSO |
| Drug Form: | Hydrochloride |
| Vendor: | Sigma Aldrich |
| Catalog No: | A8423-1G |
| Lot No: | MKBQ7258V |
| PubChem ID: | SID 24277818 |
| SMILES: | CCCCCC1=C(C2=CC=CC=C2O1)C(=O) C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | APR |
| LINCS ID: | LSM-36378 |
| Brand Name: | Emend |
| Common In Vivo Dose: | 80 mg |
| Half-life (hrs): | 9 - 13 |
| Molecular Weight: | 534.43 |
| Cmax (ng/mL): | 3070 |
| Cmax (uM): | 6 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 3 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD8277635 |
| Lot No: | 243349537 |
| PubChem ID: | SCID 6918365 |
| SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@H](O [C@H]2OCCN([C@H]2c4ccc(cc4)F)C=C3NNC(=O)N3)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | AXI |
| LINCS ID: | LSM-5438 |
| Brand Name: | Inlyta |
| Common In Vivo Dose: | 10 mg |
| Half-life (hrs): | 2.5 - 6.1 |
| Molecular Weight: | 386.48 |
| Cmax (ng/mL): | 63 |
| Cmax (uM): | 0.16 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.2 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD09837898 |
| Lot No: | 243596567 |
| PubChem ID: | CID 3086685 |
| SMILES: | S(c4c(cccc4)C(=O)NC)c1 cc2[nH]nc(c2cc1)\C=C\c3ncccc3 |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | BOS |
| LINCS ID: | LSM-1190 |
| Brand Name: | IBosulif |
| Common In Vivo Dose: | 500 mg |
| Half-life (hrs): | 22.5 |
| Molecular Weight: | 530.5 |
| Cmax (ng/mL): | 34 |
| Cmax (uM): | 0.064 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD07367846 |
| Lot No: | 243290248 |
| PubChem ID: | CID 5328940 |
| SMILES: | Clc1c(cc(c(c1)Cl)OC)Nc2c3c (ncc2C#N)cc(c(c3)OC)OCCCN4CCN(CC4)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | CAB |
| LINCS ID: | LSM-1195 |
| Brand Name: | Cometriq |
| Common In Vivo Dose: | 140 mg |
| Half-life (hrs): | 55 |
| Molecular Weight: | 501.5 |
| Cmax (ng/mL): | 1410 |
| Cmax (uM): | 2.21841123995028 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 2 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD20926324 |
| Lot No: | 361175860 |
| PubChem ID: | CID 25102847 |
| SMILES: | Fc1ccc(cc1)NC(=O)C5(CC5)C (=O)Nc2ccc(cc2)Oc3c4c(ncc3)cc(c(c4)OC)OC |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | CEF |
| LINCS ID: | LSM-5725 |
| Brand Name: | Ceftin |
| Common In Vivo Dose: | 250 mg |
| Half-life (hrs): | 1.33 |
| Molecular Weight: | 446.4 |
| Cmax (ng/mL): | 13600 |
| Cmax (uM): | 32.046297474469 |
| Stock Concentration (mM): | 30 |
| Final Concentration (uM): | 30 |
| Solvent: | Water |
| Drug Form: | Sodium Salt |
| Vendor: | Sigma Aldrich |
| Catalog No: | C4417-1G |
| Lot No: | 104M4782V |
| PubChem ID: | SID 24892692 |
| SMILES: | |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | CER |
| LINCS ID: | LSM-36374 |
| Brand Name: | Zykadia |
| Common In Vivo Dose: | 750 mg |
| Half-life (hrs): | 40 |
| Molecular Weight: | 558.1 |
| Cmax (ng/mL): | 800 |
| Cmax (uM): | 1.43333213888988 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD26142648 |
| Lot No: | 410803385 |
| PubChem ID: | CID 57379345 |
| SMILES: | [S](=O)(=O)(C(C)C)c1c(cccc1)Nc2nc (ncc2Cl)Nc3c(cc(c(c3)C)C4CCNCC4)OC(C)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | CRI |
| LINCS ID: | LSM-1027 |
| Brand Name: | ZXalkori |
| Common In Vivo Dose: | 500 mg |
| Half-life (hrs): | 42 |
| Molecular Weight: | 450.34 |
| Cmax (ng/mL): | 120 |
| Cmax (uM): | 0.266465337300706 |
| Stock Concentration (mM): | 5 |
| Final Concentration (uM): | 0.25 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | PZ0191-5MG |
| Lot No: | 034M4739V |
| PubChem ID: | CID 11626560 |
| SMILES: | Fc1c(c(c(cc1)Cl)[C@H](Oc2c (ncc(c2)c3c[n](nc3)C4CCNCC4)N)C)Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | CYC |
| LINCS ID: | LSM-2280 |
| Brand Name: | Restasis |
| Common In Vivo Dose: | 8 mg/kg |
| Half-life (hrs): | 19 |
| Molecular Weight: | 120.61 |
| Cmax (ng/mL): | 140 |
| Cmax (uM): | 0.116413467375126 |
| Stock Concentration (mM): | 831.5 |
| Final Concentration (uM): | 0.125 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | SML1018-1ML |
| Lot No: | 114M4036V |
| PubChem ID: | |
| SMILES: |
| Internal ID: | CYT |
| LINCS ID: | LSM-5470 |
| Brand Name: | Cytosine |
| Common In Vivo Dose: | 100 mg/m2 |
| Half-life (hrs): | 1-3 |
| Molecular Weight: | 279.68 |
| Cmax (ng/mL): | 103 |
| Cmax (uM): | 0.423490134324492 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.333 |
| Solvent: | Water |
| Drug Form: | Hydrochloride |
| Vendor: | Sigma Aldrich |
| Catalog No: | C6645-100MG |
| Lot No: | SLBB7397V |
| PubChem ID: | SID 24278329 |
| SMILES: | C1=CN(C(=O)N=C1N)[C@H] 2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl |
| Internal ID: | DAB |
| LINCS ID: | LSM-6303 |
| Brand Name: | Tafinlar |
| Common In Vivo Dose: | 300 mg |
| Half-life (hrs): | 8 |
| Molecular Weight: | 519.57 |
| Cmax (ng/mL): | 1324 |
| Cmax (uM): | 2.54826106203206 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 2.5 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD17215684 |
| Lot No: | 311300252 |
| PubChem ID: | CID 44462760 |
| SMILES: | Fc1c(c(ccc1)F)[S](=O)(=O)Nc2c (c(ccc2)c3nc([s]c3c4nc(ncc4)N)C(C)(C)C)F |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | DAS |
| LINCS ID: | LSM-1020 |
| Brand Name: | Sprycel |
| Common In Vivo Dose: | 140 mg |
| Half-life (hrs): | 1.3 - 5 |
| Molecular Weight: | 488.0 |
| Cmax (ng/mL): | 37 |
| Cmax (uM): | 0.0758181184811787 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD11046566 |
| Lot No: | 243846111 |
| PubChem ID: | CID 3062316 |
| SMILES: | [s]1c(ncc1C(=O)Nc4c(cccc4C) Cl)Nc2nc(nc(c2)N3CCN(CC3)CCO)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | DIC |
| LINCS ID: | LSM-2160 |
| Brand Name: | Voltaren |
| Common In Vivo Dose: | 75 mg |
| Half-life (hrs): | 2 |
| Molecular Weight : | 318.13 |
| Cmax (ng/mL): | 2000 |
| Cmax (uM): | 6.8 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 5 |
| Solvent: | DMSO |
| Drug Form: | Sodium salt |
| Vendor: | GSigma Aldrich |
| Catalog No: | PHR1144-1G |
| Lot No: | LRAA6507 |
| PubChem ID: | CID 5018304 |
| SMILES: | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | DTP |
| LINCS ID: | LSM-5038 |
| Brand Name: | Tenuate |
| Common In Vivo Dose: | 25 mg |
| Half-life (hrs): | 4-6 |
| Molecular Weight : | 241.757 |
| Cmax (ng/mL): | 185 |
| Cmax (uM): | 0.9 |
| Stock Concentration (mM): | |
| Final Concentration (uM): | 0.75 |
| Solvent: | Water |
| Drug Form: | Hydrochloride |
| Vendor: | Sigma Aldrich |
| Catalog No: | D-050-1ML |
| Lot No: | FE07301304 |
| PubChem ID: | CID 91442 |
| SMILES: | CCN(CC)C(C)C(=O)C1=CC=CC=C1.Cl |
| Internal ID: | DOM |
| LINCS ID: | LSM-2850 |
| Brand Name: | Motilium |
| Common In Vivo Dose: | 10 mg |
| Half-life (hrs): | 7-9 |
| Molecular Weight : | 425.91 |
| Cmax (ng/mL): | 40 |
| Cmax (uM): | 0.1 |
| Stock Concentration (mM): | 0.1 |
| Final Concentration (uM): | 0.05 |
| Solvent: | Ethanol |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | D122-100MG |
| Lot No: | 101M4734V |
| PubChem ID: | SID 24277911 |
| SMILES: | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | ENT |
| LINCS ID: | LSM-5258 |
| Brand Name: | Baraclude |
| Common In Vivo Dose: | 0.5 mg |
| Half-life (hrs): | 128-149 |
| Molecular Weight : | 277.28 |
| Cmax (ng/mL): | 8.2 |
| Cmax (uM): | 0.03 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.03 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | SML1103-10MG |
| Lot No: | 084M4716V |
| PubChem ID: | CID 153941 |
| SMILES: | C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | ERL |
| LINCS ID: | LSM-1097 |
| Brand Name: | Tarceva |
| Common In Vivo Dose: | 150 mg |
| Half-life (hrs): | 36.2 |
| Molecular Weight: | 393.436 |
| Cmax (ng/mL): | 1140 |
| Cmax (uM): | 2.89754877540439 |
| Stock Concentration (mM): | 12 |
| Final Concentration (uM): | 3 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD02089651 |
| Lot No: | 243014962 |
| PubChem ID: | CID 176870 |
| SMILES: | N(c3cc(ccc3)C#C)c1ncnc2c1cc(c(c2)OCCOC)OCCOC |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | EST |
| LINCS ID: | LSM-2421 |
| Brand Name: | Estrace |
| Common In Vivo Dose: | 2 mg |
| Half-life (hrs): | 24.8 |
| Molecular Weight: | 272.38 |
| Cmax (ng/mL): | 0.147 |
| Cmax (uM): | 0.000539687201703502 |
| Stock Concentration (mM): | 1 |
| Final Concentration (uM): | 0.001 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | PHR1353-1G |
| Lot No: | LRAA1172 |
| PubChem ID: | CID 5757 |
| SMILES: | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | FLE |
| LINCS ID: | LSM-36383 |
| Brand Name: | Tambocor |
| Common In Vivo Dose: | 100 mg |
| Half-life (hrs): | 12-27 |
| Molecular Weight : | 474.39 |
| Cmax (ng/mL): | 173 |
| Cmax (uM): | 0.4 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.333 |
| Solvent: | Water |
| Drug Form: | Acetate salt |
| Vendor: | Sigma Aldrich |
| Catalog No: | F6777-25MG |
| Lot No: | 084M4096V |
| PubChem ID: | SID 24278440 |
| SMILES: | CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | GEF |
| LINCS ID: | LSM-1098 |
| Brand Name: | Iressa |
| Common In Vivo Dose: | 250 mg |
| Half-life (hrs): | 6 - 49 |
| Molecular Weight: | 446.91 |
| Cmax (ng/mL): | 588 |
| Cmax (uM): | 1.31570114788212 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD04307832 |
| Lot No: | 243174589 |
| PubChem ID: | CID 123631 |
| SMILES: | Fc1c(cc(cc1)Nc2ncnc3c2cc(c(c3)OC)OCCCN4CCOCC4)Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | IMA |
| LINCS ID: | LSM-1023 |
| Brand Name: | Gleevec |
| Common In Vivo Dose: | 400 mg |
| Half-life (hrs): | 18 |
| Molecular Weight : | 493.6 |
| Cmax (ng/mL): | 1822 |
| Cmax (uM): | 3.7 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 5 |
| Solvent: | Water |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD05662257 |
| Lot No: | 243199939 |
| PubChem ID: | CID 5291 |
| SMILES: | N5(CCN(CC5)C)Cc1ccc(cc1)C(=O)Nc2cc(c(cc2)C)Nc3nc(ccn3)c4cnccc4 |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | LAP |
| LINCS ID: | LSM-1051 |
| Brand Name: | Tykerb |
| Common In Vivo Dose: | 1250 mg |
| Half-life (hrs): | 14.2 |
| Molecular Weight: | 581.07 |
| Cmax (ng/mL): | 1290 |
| Cmax (uM): | 2.22004233569105 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 2 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD09264194 |
| Lot No: | 243482004 |
| PubChem ID: | CID 208908 |
| SMILES: | Fc1cc(ccc1)COc2c(cc(cc2)Nc3ncnc4c3cc(cc4)c5[o]c(cc5)CNCC[S](=O)(=O)C)Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | LOP |
| LINCS ID: | LSM-3365 |
| Brand Name: | Imodium |
| Common In Vivo Dose: | 8 mg |
| Half-life (hrs): | 9.1 - 14.4 |
| Molecular Weight : | 513.5 |
| Cmax (ng/mL): | 6.7 |
| Cmax (uM): | 0.01 |
| Stock Concentration (mM): | 1.5 |
| Final Concentration (uM): | 0.15 |
| Solvent: | Ethanol |
| Drug Form: | Hydrochloride |
| Vendor: | Sigma Aldrich |
| Catalog No: | L4762-5G |
| Lot No: | SLBG7320V |
| PubChem ID: | SID 24278042 |
| SMILES: | CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
| Internal ID: | MTX |
| LINCS ID: | LSM-36385 |
| Brand Name: | Trexall |
| Common In Vivo Dose: | 7.5 mg/wk |
| Half-life (hrs): | 8 - 15 |
| Molecular Weight: | 516.4 |
| Cmax (ng/mL): | 300 |
| Cmax (uM): | 0.660153155532083 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.5 |
| Solvent: | 1M NaOH |
| Drug Form: | Hydrate |
| Vendor: | Sigma Aldrich |
| Catalog No: | MM8407-100MG |
| Lot No: | BCBM1176V |
| PubChem ID: | SID 24897252 |
| SMILES: | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O |
| Internal ID: | MIL |
| LINCS ID: | LSM-36382 |
| Brand Name: | Primacor |
| Common In Vivo Dose: | 12.5 mcg/kg |
| Half-life (hrs): | 2.3 |
| Molecular Weight : | 211.22 |
| Cmax (ng/mL): | 302 |
| Cmax (uM): | 1.4 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 2 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | M4659-10MG |
| Lot No: | 024M4091V |
| PubChem ID: | SID 24278060 |
| SMILES: | CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2 |
| Internal ID: | MON |
| LINCS ID: | LSM-36381 |
| Brand Name: | Singulair |
| Common In Vivo Dose: | 10 mg |
| Half-life (hrs): | 2.7 - 5.5 |
| Molecular Weight : | 681.2 |
| Cmax (ng/mL): | 465 |
| Cmax (uM): | 0.793266278165218 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | Sodium hydrate |
| Vendor: | Sigma Aldrich |
| Catalog No: | SML0101-50MG |
| Lot No: | 103M4740V |
| PubChem ID: | CID 71311637 |
| SMILES: | CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.O.[Na+] |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | NIL |
| LINCS ID: | LSM-1099 |
| Brand Name: | Tasigna |
| Common In Vivo Dose: | 800 mg |
| Half-life (hrs): | 17 |
| Molecular Weight : | 529.52 |
| Cmax (ng/mL): | 1644 |
| Cmax (uM): | 3.10469859495392 |
| Stock Concentration (mM): | 12 |
| Final Concentration (uM): | 3 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD09833716 |
| Lot No: | 243590611 |
| PubChem ID: | CID 644241 |
| SMILES: | FC(F)(F)c1cc(cc(c1)NC(=O)c3cc(c(cc3)C)Nc4nc(ccn4)c5cnccc5)[n]2cnc(c2)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | OLM |
| LINCS ID: | LSM-5893 |
| Brand Name: | Benicar |
| Common In Vivo Dose: | 20 mg |
| Half-life (hrs): | 12-14 |
| Molecular Weight : | 446.5 |
| Cmax (ng/mL): | 693 |
| Cmax (uM): | 1.55207166853303 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Tocris |
| Catalog No: | 4616 |
| Lot No: | IA/159783 |
| PubChem ID: | CID 158781 |
| SMILES: | CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | PAR |
| LINCS ID: | LSM-36380 |
| Brand Name: | Paxil |
| Common In Vivo Dose: | 30 mg |
| Half-life (hrs): | 21 |
| Molecular Weight : | 374.83 |
| Cmax (ng/mL): | 29.9 |
| Cmax (uM): | 0.1 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.1 |
| Solvent: | DMSO |
| Drug Form: | Hydrochloride |
| Vendor: | Sigma Aldrich |
| Catalog No: | 1500218-350MG |
| Lot No: | GIF261 |
| PubChem ID: | CID 9843029 |
| SMILES: | C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | PAZ |
| LINCS ID: | LSM-1114 |
| Brand Name: | Votrient |
| Common In Vivo Dose: | 800 mg |
| Half-life (hrs): | 30.9 |
| Molecular Weight : | 437.53 |
| Cmax (ng/mL): | 18200 |
| Cmax (uM): | 41.5971476241629 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 10 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD12546138 |
| Lot No: | 244125720 |
| PubChem ID: | CID 10113978 |
| SMILES: | [S](=O)(=O)(N)c1c(ccc(c1)Nc2nc(ccn2)N(C)c3cc4n[n](c(c4cc3)C)C)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | PON |
| LINCS ID: | LSM-1151 |
| Brand Name: | Iclusig |
| Common In Vivo Dose: | 45 mg |
| Half-life (hrs): | 24 |
| Molecular Weight : | 532.57 |
| Cmax (ng/mL): | 54.7 |
| Cmax (uM): | 0.102709502976135 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD17215203 |
| Lot No: | 311299417 |
| PubChem ID: | CID 24826799 |
| SMILES: | FC(F)(F)c1c(ccc(c1)NC(=O)c3cc(c(cc3)C)C#Cc4[n]5c(nc4)C=CC=N5)CN2CCN(CC2)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | PRE |
| LINCS ID: | LSM-24954 |
| Brand Name: | Cotolone |
| Common In Vivo Dose: | 5 mg |
| Half-life (hrs): | 2-3 |
| Molecular Weight : | 360.44 |
| Cmax (ng/mL): | 199 |
| Cmax (uM): | 0.552102985240262 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.5 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | P6004-1G |
| Lot No: | MKBQ9280V |
| PubChem ID: | SID 24898725 |
| SMILES: | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | REG |
| LINCS ID: | LSM-1226 |
| Brand Name: | Stivarga |
| Common In Vivo Dose: | 160 mg |
| Half-life (hrs): | 14-58 |
| Molecular Weight : | 482.82 |
| Cmax (ng/mL): | 3900 |
| Cmax (uM): | 8.07754442649435 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD16038047 |
| Lot No: | 293012533 |
| PubChem ID: | CID 11167602 |
| SMILES: | FC(F)(F)c1c(ccc(c1)NC(=O)Nc2c(cc(cc2)Oc3cc(ncc3)C(=O)NC)F)Cl |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | RUX |
| LINCS ID: | LSM-1139 |
| Brand Name: | Jakafi |
| Common In Vivo Dose: | 10 mg |
| Half-life (hrs): | 3 |
| Molecular Weight : | 306.37 |
| Cmax (ng/mL): | |
| Cmax (uM): | 1.16 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD12031592 |
| Lot No: | 244322445 |
| PubChem ID: | CID 25126798 |
| SMILES: | [n]2(ncc(c2)c3ncnc4[nH]ccc43)[C@@H](C1CCCC1)CC#N |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | SOR |
| LINCS ID: | LSM-1008 |
| Brand Name: | Nexavar |
| Common In Vivo Dose: | 30 mg/kg |
| Half-life (hrs): | 25-48 |
| Molecular Weight : | 637.03 |
| Cmax (ng/mL): | 5840 |
| Cmax (uM): | 12 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.5 |
| Solvent: | DMSO |
| Drug Form: | Tosylate |
| Vendor: | Selleck |
| Catalog No: | S1040 |
| Lot No: | S104002 |
| PubChem ID: | CID 406563 |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | SUN |
| LINCS ID: | LSM-1176 |
| Brand Name: | Sutent |
| Common In Vivo Dose: | 50 mg |
| Half-life (hrs): | 40-60 |
| Molecular Weight : | 532.56 |
| Cmax (ng/mL): | 141 |
| Cmax (uM): | 0.4 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | DMSO |
| Drug Form: | Malate |
| Vendor: | Sigma Aldrich |
| Catalog No: | PZ0012-25MG |
| Lot No: | 030M4706V |
| PubChem ID: | CID 6456015 |
| SMILES: | CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O |
| Internal ID: | TOF |
| LINCS ID: | LSM-1227 |
| Brand Name: | Xeljanz |
| Common In Vivo Dose: | 10 mg |
| Half-life (hrs): | 3.2 |
| Molecular Weight : | 504.49 |
| Cmax (ng/mL): | 397 |
| Cmax (uM): | 1.27092870634184 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 1 |
| Solvent: | Citrate |
| Drug Form: | |
| Vendor: | Sigma Aldrich |
| Catalog No: | PZ0017-25MG |
| Lot No: | 06ZM4704V |
| PubChem ID: | CID 10174505 |
| SMILES: | |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | TRA |
| LINCS ID: | LSM-1143 |
| Brand Name: | Mekinist |
| Common In Vivo Dose: | 2 mg |
| Half-life (hrs): | 94 - 115 |
| Molecular Weight : | 693.54 |
| Cmax (ng/mL): | 21.7 |
| Cmax (uM): | 0.0312887504686103 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.1 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | PMFCD21609250 |
| Lot No: | 369645420 |
| PubChem ID: | CID 11707110 |
| SMILES: | Ic1cc(c(cc1)NC2=C3C(=C(C(=O)N2C)C)N(C(=O)N(C3=O)C5CC5)c4cc(ccc4)NC(=O)C)F.[S](=O)(C)C |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | TRS |
| LINCS ID: | LAR-1001 |
| Brand Name: | Herceptin |
| Common In Vivo Dose: | 4 mg/kg |
| Half-life (hrs): | 41-288 |
| Molecular Weight : | 148000 |
| Cmax (ng/mL): | 377000 |
| Cmax (uM): | 2.6 |
| Stock Concentration (mM): | 3 |
| Final Concentration (uM): | 3 |
| Solvent: | Water |
| Drug Form: | |
| Vendor: | Genetech |
| Catalog No: | NDC50242-134-68 |
| Lot No: | 615010 |
| PubChem ID: | |
| SMILES: |
| Internal ID: | URS |
| LINCS ID: | LSM-6555 |
| Brand Name: | Ursodiol |
| Common In Vivo Dose: | 10 mg/kg |
| Half-life (hrs): | 81-139 |
| Molecular Weight : | 392.57 |
| Cmax (ng/mL): | 8400 |
| Cmax (uM): | 21.3974577782306 |
| Stock Concentration (mM): | 200 |
| Final Concentration (uM): | 20 |
| Solvent: | Ethanol |
| Drug Form: | |
| Vendor: | Sigma-Aldrich |
| Catalog No: | U5127-5G |
| Lot No: | SLBH7529V |
| PubChem ID: | SID 24900651 |
| SMILES: | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| Internal ID: | VAN |
| LINCS ID: | LSM-1199 |
| Brand Name: | Caprelsa |
| Common In Vivo Dose: | 300 mg/kg |
| Half-life (hrs): | 456 |
| Molecular Weight : | 475.36 |
| Cmax (ng/mL): | 178.2 |
| Cmax (uM): | 0.374873779872097 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 0.333 |
| Solvent: | DMSO |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD07772346 |
| Lot No: | 243310720 |
| PubChem ID: | CID 3081361 |
| SMILES: | Fc1c(ccc(c1)Br)Nc2ncnc3c2cc(c(c3)OCC4CCN(CC4)C)OC |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |
| Internal ID: | VEM |
| LINCS ID: | LSM-1068 |
| Brand Name: | ZelborafUrsodiol |
| Common In Vivo Dose: | 960 mg |
| Half-life (hrs): | 57 |
| Molecular Weight : | 489.93 |
| Cmax (ng/mL): | 4800 |
| Cmax (uM): | 9.79731798420183 |
| Stock Concentration (mM): | 10 |
| Final Concentration (uM): | 2 |
| Solvent: | DMSOl |
| Drug Form: | |
| Vendor: | Aldrich Market Select |
| Catalog No: | MFCD18074504 |
| Lot No: | 316190738 |
| PubChem ID: | CID 42611257 |
| SMILES: | Fc1c(ccc(c1C(=O)c2c3c([nH]c2)ncc(c3)c4ccc(cc4)Cl)F)N[S](=O)(=O)CCC |
| Quality Assurance/Control Steps | |
| HPLC-UV-MS: | Assesment of drug purity |