Bioactive Compound Details

BioIDbio3289
NameFROVATRIPTAN
ChEMBL IDCHEMBL1279
Molecular FormulaC14H17N3O
Molecular Weight243.31
Molecular Weight (Monoisotopic)243.1372
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALLERGO FILMTABLETTEN|FROVATRIPTAN|Frova|Frovatriptan|MIGARD|MYLATRIP
SmilesCN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
InchiInChI=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
Inchi KeyXPSQPHWEGNHMSK-SECBINFHSA-N
Molecular SpeciesBASE
Targets14.0
Bioactivities47.0
Np Likeness Score-0.45
Records Key['4 (VML-251)', 'Frovatriptan', 'frovatriptan', 'Frovatriptan', 'Frovatriptan', 'FROVATRIPTAN', 'frovatriptan', '147', 'FROVATRIPTAN', 'FROVATRIPTAN', 'FROVATRIPTAN', 'Frovatriptan', 'frovatriptan', '12', 'Frovatriptan']
Records Name['(R)-6-Methylamino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid amide', 'Frovatriptan', 'frovatriptan', 'Frovatriptan', 'Frovatriptan', 'FROVATRIPTAN', 'frovatriptan', 'Frovatriptan', 'FROVATRIPTAN', 'FROVATRIPTAN', 'FROVATRIPTAN', 'Frovatriptan', 'frovatriptan', 'Frovatriptan', 'Frovatriptan']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure