BMS-817399

Ligand id: 9497

Name: BMS-817399

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 89.87
Molecular weight 438.23
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 29 [PMID: 25101488]
Database Links
ChEMBL Ligand CHEMBL3334824
GtoPdb PubChem SID 336446899
PubChem CID 44537841
RCSB PDB Ligand 2Q4
Search Google for chemical match using the InChIKey PTNKPLPRPJERNR-XXBNENTESA-N
Search Google for chemicals with the same backbone PTNKPLPRPJERNR
Search UniChem for chemical match using the InChIKey PTNKPLPRPJERNR-XXBNENTESA-N
Search UniChem for chemicals with the same backbone PTNKPLPRPJERNR
Comments
BMS-817399 is a selective and orally bioavailable CCR1 receptor antagonist [1].