A-304121   Click here for help

GtoPdb Ligand ID: 1258

Synonyms: A 304121 | A304121
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 75.87
Molecular weight 359.22
XLogP 1.08
No. Lipinski's rules broken 0
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Canonical SMILES CC(C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N
Isomeric SMILES C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N
InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
1. Esbenshade TA, Fox GB, Krueger KM, Baranowski JL, Miller TR, Kang CH, Denny LI, Witte DG, Yao BB, Pan JB et al.. (2004)
Pharmacological and behavioral properties of A-349821, a selective and potent human histamine H3 receptor antagonist.
Biochem Pharmacol, 68 (5): 933-45. [PMID:15294456]
2. Esbenshade TA, Krueger KM, Miller TR, Kang CH, Denny LI, Witte DG, Yao BB, Fox GB, Faghih R, Bennani YL et al.. (2003)
Two novel and selective nonimidazole histamine H3 receptor antagonists A-304121 and A-317920: I. In vitro pharmacological effects.
J Pharmacol Exp Ther, 305 (3): 887-96. [PMID:12606603]