A-317920

Ligand id: 1216

Name: A-317920

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 92.09
Molecular weight 453.23
XLogP 2.12
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Esbenshade TA, Fox GB, Krueger KM, Baranowski JL, Miller TR, Kang CH, Denny LI, Witte DG, Yao BB, Pan JB, Faghih R, Bennani YL, Williams M, Hancock AA. (2004)
Pharmacological and behavioral properties of A-349821, a selective and potent human histamine H3 receptor antagonist.
Biochem Pharmacol68: 933-945. [PMID:15294456]
2. Esbenshade TA, Krueger KM, Miller TR, Kang CH, Denny LI, Witte DG, Yao BB, Fox GB, Faghih R, Bennani YL, Williams M, Hancock AA. (2003)
Two novel and selective nonimidazole histamine H3 receptor antagonists A-304121 and A-317920: I. In vitro pharmacological effects.
J Pharmacol Exp Ther305: 887-896. [PMID:12606603]