AC-90179

Ligand id: 174

Name: AC-90179

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 32.78
Molecular weight 366.23
XLogP 5.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Phebus LA, Johnson KW, Zgombick JM, Gilbert PJ, Van Belle K, Mancuso V, Nelson DL, Calligaro DO, Kiefer AD, Branchek TA, Flaugh ME. (1997)
Characterization of LY344864 as a pharmacological tool to study 5-HT1F receptors: binding affinities, brain penetration and activity in the neurogenic dural inflammation model of migraine.
Life Sci61: 2117-212. [PMID:9395253]
2. Vanover KE, Harvey SC, Son T, Bradley SR, Kold H, Makhay M, Veinbergs I, Spalding TA, Weiner DM, Andersson CM, Tolf BR, Brann MR, Hacksell U, Davis RE. (2004)
Pharmacological characterization of AC-90179 [2-(4-methoxyphenyl)-N-(4-methyl-benzyl)-N-(1-methyl-piperidin-4-yl)-aceta mide hydrochloride]: a selective serotonin 2A receptor inverse agonist.
J Pharmacol Exp Ther310: 943-951. [PMID:15102927]