zolmitriptan   Click here for help

GtoPdb Ligand ID: 60

Synonyms: 311C90 | Zomig®
Approved drug
zolmitriptan is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: Zolmitriptan is triptan type serotonin receptor agonist that is used as an anti-migraine drug. It is selective for the 1B and 1D 5-HT receptor subtypes. Zolmitriptan is the only triptan known to be converted to an active N-desmethyl metabolite which has higher affinity for the 5-HT1D and 5-HT1B receptors than the parent molecule
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 57.36
Molecular weight 287.16
XLogP 1.59
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCc1c[nH]c2c1cc(CC1COC(=O)N1)cc2)C
Isomeric SMILES CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C
InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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Molecular structure representations generated using Open Babel