GW841819X

Ligand id: 7514

Name: GW841819X

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 81.4
Molecular weight 423.17
XLogP 8.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
phenylmethyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
Synonyms
KB-75882
Database Links
CAS Registry No. 146135-18-4 (source: Scifinder)
ChEMBL Ligand CHEMBL2153434
PubChem CID 13953710
Search Google for chemical match using the InChIKey TUWDLUFFAHHNEF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TUWDLUFFAHHNEF
Search UniChem for chemical match using the InChIKey TUWDLUFFAHHNEF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TUWDLUFFAHHNEF
SynPHARM 79907 (in complex with bromodomain containing 2)
79909 (in complex with bromodomain containing 4)
Comments
GW841819X is a small molecule inhibitor of bromodomain and extraterminal (BET) subfamily of bromodomain containing proteins (BCPs; BRD2-4). The compound acts as a mimetic of acetylated lysine, competing for the acetylated histone binding site.