I-BET-762

Ligand id: 7033

Name: I-BET-762

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 81.4
Molecular weight 423.15
XLogP 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
International Nonproprietary Names
INN number INN
10533 molibresib
Synonyms
CS-0717 | GSK 525762A | GSK525762 | I-BET762 | molibresib (proposed INN)
Database Links
CAS Registry No. 1260907-17-2
ChEMBL Ligand CHEMBL1232461
PubChem CID 46943432
RCSB PDB Ligand EAM
Search Google for chemical match using the InChIKey AAAQFGUYHFJNHI-SFHVURJKSA-N
Search Google for chemicals with the same backbone AAAQFGUYHFJNHI
Search PubMed clinical trials molibresib
Search PubMed titles molibresib
Search PubMed titles/abstracts molibresib
Search UniChem for chemical match using the InChIKey AAAQFGUYHFJNHI-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone AAAQFGUYHFJNHI
SynPHARM 79905 (in complex with bromodomain containing 2)
79904 (in complex with bromodomain containing 4)
Comments
I-BET compounds are acetyl histone mimetics.