alniditan   Click here for help

GtoPdb Ligand ID: 120

Synonyms: R-91274
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 57.68
Molecular weight 302.21
XLogP 2.17
No. Lipinski's rules broken 0
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Canonical SMILES C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1
Isomeric SMILES C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1
InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
1. Lesage AS, Wouters R, Van Gompel P, Heylen L, Vanhoenacker P, Haegeman G, Luyten WH, Leysen JE. (1998)
Agonistic properties of alniditan, sumatriptan and dihydroergotamine on human 5-HT1B and 5-HT1D receptors expressed in various mammalian cell lines.
Br J Pharmacol, 123 (8): 1655-65. [PMID:9605573]
2. Leysen JE, Gommeren W, Heylen L, Luyten WH, Van de Weyer I, Vanhoenacker P, Haegeman G, Schotte A, Van Gompel P, Wouters R et al.. (1996)
Alniditan, a new 5-hydroxytryptamine1D agonist and migraine-abortive agent: ligand-binding properties of human 5-hydroxytryptamine1D alpha, human 5-hydroxytryptamine1D beta, and calf 5-hydroxytryptamine1D receptors investigated with [3H]5-hydroxytryptamine and [3H]alniditan.
Mol Pharmacol, 50 (6): 1567-80. [PMID:8967979]