CP-195543

Ligand id: 6155

Name: CP-195543

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 66.76
Molecular weight 428.12
XLogP 7.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid
Synonyms
CP 195543 | CP-195,543 | CP195543
Comments
CP-195543 (CP-195,543) is a leukotriene B4 receptor antagonist for the treatment of inflammatory diseases. It is the follow-up compound to CP105696 whose development was discontinued due to unfavourable pharmacodynamic properties. Preclinical pharmacology for CP-195543 is reported by Showell et al. (1998) [1].
Database Links
CAS Registry No. 204981-48-6 (source: Scifinder)
ChEMBL Ligand CHEMBL301829
GtoPdb PubChem SID 178102776
PubChem CID 9823886
Search Google for chemical match using the InChIKey NZQDWKCNBOELAI-KSFYIVLOSA-N
Search Google for chemicals with the same backbone NZQDWKCNBOELAI
Search UniChem for chemical match using the InChIKey NZQDWKCNBOELAI-KSFYIVLOSA-N
Search UniChem for chemicals with the same backbone NZQDWKCNBOELAI