compound 36 [PMID: 24000170]

Ligand id: 7521

Name: compound 36 [PMID: 24000170]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 99.37
Molecular weight 470.12
XLogP 4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one
Database Links
PubChem CID 75124304
Search Google for chemical match using the InChIKey WWSIFGSLYORAET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WWSIFGSLYORAET
Search UniChem for chemical match using the InChIKey WWSIFGSLYORAET-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WWSIFGSLYORAET
Comments
This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 [1].