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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7408 zolmitriptan
Synonyms Click here for help
311C90 | Zomig®
Database Links Click here for help
Specialist databases
GPCRdb Ligand zolmitriptan
Other databases
BindingDB Ligand 50033383
CAS Registry No. 139264-17-8
ChEMBL Ligand CHEMBL1185
DrugBank Ligand DB00315
DrugCentral Ligand 2869
GtoPdb PubChem SID 135651366
PubChem CID 60857
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UniChem Compound Search for chemical match using the InChIKey ULSDMUVEXKOYBU-ZDUSSCGKSA-N
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Wikipedia Zolmitriptan

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Zolmitriptan (links to external site)
Cat. No. 4657