ABT-737

Ligand id: 8320

Name: ABT-737

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 161.81
Molecular weight 812.26
XLogP 11.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide
Synonyms
Names References
ABT 737
ABT737
compound 2 [PMID 17256834] 2
Database Links
CAS Registry No. 852808-04-9
ChEMBL Ligand CHEMBL376408
PubChem CID 11228183
RCSB PDB Ligand N3C&sid=2YXJ
Search Google for chemical match using the InChIKey HPLNQCPCUACXLM-PGUFJCEWSA-N
Search Google for chemicals with the same backbone HPLNQCPCUACXLM
Comments
ABT-737 is an antagonist of prosurvival Bcl-2 family proteins [2], but has poor aqueous solubility.