ABT-737 - Small Molecule (ID:10179-101)

HMS LINCS ID: 10179-101
Name: ABT-737
Alternative Names:
LINCS ID: LSM-1180
PubChem CID: 11228183
ChEBI ID:
ChEMBL ID:
Molecular Mass: 812.26
InChi: InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
InChi Key: HPLNQCPCUACXLM-PGUFJCEWSA-N
SMILES: CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
BAD, BCL2, BCL2L1, BCL2L10, BCL2L2, CSN2
3
(equivalent to 1µM ≤ Kd < 10 µM)
BCL2A1, Mcl1, MCL1

Datasets:

HMS Dataset ID Dataset Title HMS Dataset Type
20000
Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library.
Analysis
20343
Breast Cancer Profiling Project, Drug Sensitivity 1: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens. Dataset 1 of 2: Normalized growth rate inhibition values.
Microscopy/Imaging
20344
Breast Cancer Profiling Project, Drug Sensitivity 1: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens. Dataset 2 of 2: Calculated dose response metrics.
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10179-101-1 Haoyuan chemexpress HM-130-20110616
10179-101-2 MedChem Express 04477