I-BET151

Ligand id: 7518

Name: I-BET151

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 93.38
Molecular weight 415.16
XLogP 3.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-(dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1H,2H,3H-imidazo[4,5-c]quinolin-2-one
Synonyms
GSK1210151A
Database Links
CAS Registry No. 1300031-49-5
ChEMBL Ligand CHEMBL2017291
PubChem CID 52912189
RCSB PDB Ligand 1GH
Search Google for chemical match using the InChIKey VUVUVNZRUGEAHB-CYBMUJFWSA-N
Search Google for chemicals with the same backbone VUVUVNZRUGEAHB
Search UniChem for chemical match using the InChIKey VUVUVNZRUGEAHB-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone VUVUVNZRUGEAHB
SynPHARM 79914 (in complex with bromodomain containing 2)
79916 (in complex with bromodomain containing 4)
Comments
I-BET151 is a selective BET inhibitor for BRD2, BRD3 and BRD4 [1-2].