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

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