NARATRIPTAN

Search structure
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N02CC02
UNII: QX3KXL1ZA2

Structure
InChI Key AMKVXSZCKVJAGH-UHFFFAOYSA-N
Smile 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

Primary Target
5-HT1B receptor
5-HT1D receptor
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
2 - - 2 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 4 D008881 ClinicalTrials
Headache 3 D006261 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 121679-13-8
ChEBI 7478
ChEMBL CHEMBL1278
DrugBank DB00952
DrugCentral 1884
EPA CompTox DTXSID7023354
FDA SRS QX3KXL1ZA2
Human Metabolome Database HMDB0015087
Guide to Pharmacology 45
KEGG C07792
PharmGKB PA450597
PubChem 4440
SureChEMBL SCHEMBL68753
ZINC ZINC000000004076
CONTENTS