(+)-JQ1

Ligand id: 7511

Name: (+)-JQ1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 97.61
Molecular weight 456.14
XLogP 5.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
CAS Registry No. 1268524-70-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1957266
PubChem CID 46907787
Search Google for chemical match using the InChIKey DNVXATUJJDPFDM-KRWDZBQOSA-N
Search Google for chemicals with the same backbone DNVXATUJJDPFDM
Search UniChem for chemical match using the InChIKey DNVXATUJJDPFDM-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone DNVXATUJJDPFDM
SynPHARM 79900 (in complex with bromodomain containing 4)
Wikipedia JQ1
Comments
JQ1 is a selective and potent inhibitor of BET family bromodomains [2]. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.