RVX 208   

GtoPdb Ligand ID: 7034

Synonyms: QC-216 | RVX-000222 | RVX-208
Compound class: Synthetic organic
Comment: RVX 208 is a derivative of the plant polyphenol resveratrol. RVX 208 is an investigational antagonist of BET bromodomain containing proteins, with potential anti-atherosclerotic action for the treatment of cardiovascular disease (CVD) [2-3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 93.67
Molecular weight 370.15
XLogP 3.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC
Isomeric SMILES OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC
InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
InChI Key NETXMUIMUZJUTB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one
Synonyms
QC-216 | RVX-000222 | RVX-208
Database Links
CAS Registry No. 1044870-39-4
ChEMBL Ligand CHEMBL2393130
GtoPdb PubChem SID 178103613
PubChem CID 24871506
RCSB PDB Ligand 1K0
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Search UniChem for chemicals with the same backbone NETXMUIMUZJUTB
SynPHARM 82687 (in complex with bromodomain containing 2)
82686 (in complex with bromodomain containing 4)
Wikipedia RVX_208