compound 4d [PMID: 21851057]

Ligand id: 7516

Name: compound 4d [PMID: 21851057]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.49
Molecular weight 261.14
XLogP 2.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethan-1-ol
Database Links
ChEMBL Ligand CHEMBL1828986
GtoPdb PubChem SID 187051818
PubChem CID 54669868
Search Google for chemical match using the InChIKey AONNGYBECNOVTK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AONNGYBECNOVTK
Search UniChem for chemical match using the InChIKey AONNGYBECNOVTK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AONNGYBECNOVTK
SynPHARM 79912 (in complex with bromodomain containing 4)
Comments
This compound acts a an acetyl-lysine mimetic at the BD1 domains of BRD2 and BRD4 [1].