Ligand id: 3358

Name: ICI198615

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137
Molecular weight 548.17
XLogP 4.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Galemmo RA Jr, Johnson WH Jr, Learn KS, Lee TD, Huang FC, Campbell HF, Youssefyeh R, O'Rourke SV, Schuessler G, Sweeney DM et al.. (1990)
The development of a novel series of (quinolin-2-ylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 3. Structural variation of the acidic side chain to give antagonists of enhanced potency.
J Med Chem, 33 (10): 2828-41. [PMID:2170649]