FROVATRIPTAN

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Synonyms
Status
Molecule Category Free-form
ATC N02CC07
UNII H82Q2D5WA7
EPA CompTox DTXSID0023080

Structure

InChI Key XPSQPHWEGNHMSK-SECBINFHSA-N
Smiles CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
InChI
InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N3O
Molecular Weight 243.31
AlogP 1.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 70.91
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

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
- - - 4.4-62 -

Cross References

Resources Reference
ChEBI 134991
ChEMBL CHEMBL1279
DrugBank DB00998
DrugCentral 1251
FDA SRS H82Q2D5WA7
Human Metabolome Database HMDB0015133
Guide to Pharmacology 7191
PharmGKB PA164754891
PubChem 77992
SureChEMBL SCHEMBL34410
ZINC ZINC000000018635
CONTENTS