SGC-CBP30

Ligand id: 7529

Name: SGC-CBP30

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 65.55
Molecular weight 508.22
XLogP 5.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-1,3-benzodiazole
Database Links
PubChem CID 72201027
RCSB PDB Ligand 2LO
Search Google for chemical match using the InChIKey GEPYBHCJBORHCE-SFHVURJKSA-N
Search Google for chemicals with the same backbone GEPYBHCJBORHCE
Search UniChem for chemical match using the InChIKey GEPYBHCJBORHCE-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone GEPYBHCJBORHCE
SynPHARM 79941 (in complex with CREB binding protein)
79942 (in complex with E1A binding protein p300)
Comments
CBP30 targets the CBP/p300 bromodomain, with much improved selectivity compared to the pan-BET bromodomain inhibitor (+)-JQ1 [2]. CBP30 has therapeutic potential against autoimmune diseases characterised by aberrant Th17 responses.
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.