naratriptan   Click here for help

GtoPdb Ligand ID: 45

Synonyms: Amerge® | GR-85548A
Approved drug
naratriptan is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Marketed formulations may contain naratriptan hydrochloride (PubChem CID 60875).
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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 73.58
Molecular weight 335.17
XLogP 1.61
No. Lipinski's rules broken 0
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Canonical SMILES CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CCN(CC1)C
Isomeric SMILES CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CCN(CC1)C
InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7097 naratriptan
Synonyms Click here for help
Amerge® | GR-85548A
Database Links Click here for help
Specialist databases
GPCRdb Ligand naratriptan
Other databases
BindingDB Ligand 50073682
CAS Registry No. 121679-13-8
ChEMBL Ligand CHEMBL1278
DrugBank Ligand DB00952
DrugCentral Ligand 1884
GtoPdb PubChem SID 135650691
PubChem CID 4440
Search Google for chemical match using the InChIKey AMKVXSZCKVJAGH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey AMKVXSZCKVJAGH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AMKVXSZCKVJAGH-UHFFFAOYSA-N
Wikipedia Naratriptan