compound 38 [PMID: 24000170]

Ligand id: 7522

Name: compound 38 [PMID: 24000170]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.14
Molecular weight 400.15
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9-benzyl-3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one
Database Links
PubChem CID 75124305
Search Google for chemical match using the InChIKey ZULXIHDLPPWDPC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZULXIHDLPPWDPC
Search UniChem for chemical match using the InChIKey ZULXIHDLPPWDPC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZULXIHDLPPWDPC
Comments
This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 [1].