Bioactive Compound Details

BioIDbio2629
NameNARATRIPTAN HYDROCHLORIDE
ChEMBL IDCHEMBL1200601
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93
Molecular Weight (Monoisotopic)335.1667
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAMERGE|GR 85548A|GR-85548A|NARAMIG|NARATRIPTAN|NARATRIPTAN HCL|NARATRIPTAN HYDROCHLORIDE
SmilesCNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl
InchiInChI=1S/C17H25N3O2S.ClH/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;1H
Inchi KeyAWEZYKMQFAUBTD-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets3.0
Bioactivities27.0
Np Likeness Score-0.93
Records Key['SID170465423', 'SID144207166', 'NARATRIPTAN HYDROCHLORIDE', 'NARATRIPTAN HYDROCHLORIDE', 'Naratriptan HCl', 'NARATRIPTAN HCL', 'NARATRIPTAN HYDROCHLORIDE', 'Naratriptan HCl', 'NARATRIPTAN HYDROCHLORIDE']
Records Name['SID170465423', 'SID144207166', 'NARATRIPTAN HYDROCHLORIDE', 'NARATRIPTAN HYDROCHLORIDE', 'Naratriptan HCl', 'NARATRIPTAN HCL', 'NARATRIPTAN HYDROCHLORIDE', 'Naratriptan HCl', 'NARATRIPTAN HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure