CHMFL-BTK-11

Ligand id: 9516

Name: CHMFL-BTK-11

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.12
Molecular weight 423.17
XLogP 3.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-1-yl)-1H,2H,3H,4H-benzo[h]1,6-naphthyridin-1-yl]phenyl}prop-2-enamide
Database Links
GtoPdb PubChem SID 336446903
PubChem CID 126970680
Search Google for chemical match using the InChIKey AANOKQLITQDWQD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AANOKQLITQDWQD
Search UniChem for chemical match using the InChIKey AANOKQLITQDWQD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AANOKQLITQDWQD
Comments
CHMFL-BTK-11 exerts its inhibitory efficacy through a covalent bond with BTK Cys481. Should be a pharmacological tool for BTK mediated signaling in rheumatoid arthritis [1].