Ligand id: 876

Name: IQM-97423

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 126.64
Molecular weight 558.3
XLogP 3.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Latorre M, Bartolomé-Nebreda JM, García-López MT, González-Muñiz R, Herranz R, Del Río J, Cenarruzabeitia E. (2004)
Pharmacological study of IQM-97,423, a potent and selective CCK1 receptor antagonist with protective effect in experimental acute pancreatitis.
Pharmacology, 72 (2): 68-76. [PMID:15331911]