CAY 10471

Ligand id: 1905

Name: CAY 10471

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 87.99
Molecular weight 416.12
XLogP 3.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Royer JF, Schratl P, Lorenz S, Kostenis E, Ulven T, Schuligoi R, Peskar BA, Heinemann A. (2007)
A novel antagonist of CRTH2 blocks eosinophil release from bone marrow, chemotaxis and respiratory burst.
Allergy, 62 (12): 1401-9. [PMID:17714552]
2. Ulven T, Kostenis E. (2005)
Minor structural modifications convert the dual TP/CRTH2 antagonist ramatroban into a highly selective and potent CRTH2 antagonist.
J Med Chem, 48: 897-900. [PMID:15715457]