NARATRIPTAN

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Synonyms
Status
Molecule Category Free-form
ATC N02CC02
UNII QX3KXL1ZA2
EPA CompTox DTXSID7023354

Structure

InChI Key AMKVXSZCKVJAGH-UHFFFAOYSA-N
Smiles CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N3O2S
Molecular Weight 335.47
AlogP 2.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 65.2
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
1.6 - - 2.3-45 -

Cross References

Resources Reference
ChEBI 7478
ChEMBL CHEMBL1278
DrugBank DB00952
DrugCentral 1884
FDA SRS QX3KXL1ZA2
Human Metabolome Database HMDB0015087
Guide to Pharmacology 45
KEGG C07792
PharmGKB PA450597
PubChem 4440
SureChEMBL SCHEMBL68753
ZINC ZINC000000004076
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