RN486

Ligand id: 8249

Name: RN486

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.25
Molecular weight 606.28
XLogP 5.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
Synonyms
compound 29 [PMID 22394077] | RN-486
Database Links
CAS Registry No. 1242156-23-5
ChEMBL Ligand CHEMBL2057918
PubChem CID 46908026
RCSB PDB Ligand 7G6
Search Google for chemical match using the InChIKey ZTUJNJAKTLHBEX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZTUJNJAKTLHBEX
Search UniChem for chemical match using the InChIKey ZTUJNJAKTLHBEX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZTUJNJAKTLHBEX
Comments
RN486 is reported as a reversible, potent and selective inhibitor of Bruton agammaglobulinemia tyrosine kinase (BTK) [1-2].