sabutoclax

Ligand id: 7920

Name: sabutoclax

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 8
Rotatable bonds 11
Topological polar surface area 179.58
Molecular weight 700.28
XLogP 10.71
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
Synonyms
BI 97C1 | BI-97C1
Database Links
ChEMBL Ligand CHEMBL1094250
PubChem CID 46236925
Search Google for chemical match using the InChIKey RAYNZUHYMMLQQA-ZEQRLZLVSA-N
Search Google for chemicals with the same backbone RAYNZUHYMMLQQA
Search UniChem for chemical match using the InChIKey RAYNZUHYMMLQQA-ZEQRLZLVSA-N
Search UniChem for chemicals with the same backbone RAYNZUHYMMLQQA
Comments
BI-97C1 is a pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. Its discovery is described in [1], where it is compound 11. It is a derivative/analogue of gossypol.