compound 24 [PMID: 16451050]

Ligand id: 7361

Name: compound 24 [PMID: 16451050]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 44.81
Molecular weight 433.27
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Fischetti C, Camarda V, Rizzi A, PelĂ  M, Trapella C, Guerrini R, McDonald J, Lambert DG, Salvadori S, Regoli D et al.. (2009)
Pharmacological characterization of the nociceptin/orphanin FQ receptor non peptide antagonist Compound 24.
Eur. J. Pharmacol., 614 (1-3): 50-7. [PMID:19445927]
2. Goto Y, Arai-Otsuki S, Tachibana Y, Ichikawa D, Ozaki S, Takahashi H, Iwasawa Y, Okamoto O, Okuda S, Ohta H et al.. (2006)
Identification of a novel spiropiperidine opioid receptor-like 1 antagonist class by a focused library approach featuring 3D-pharmacophore similarity.
J. Med. Chem., 49 (3): 847-9. [PMID:16451050]