Bioactive Compound Details

BioIDbio2493
NameRIZATRIPTAN SULFATE
ChEMBL IDCHEMBL3989629
Molecular FormulaC30H42N10O5S
Molecular Weight654.8
Molecular Weight (Monoisotopic)269.164
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMK-A462|RIZATRIPTAN SULFATE|RIZATRIPTAN SULFATE HYDRATE|RIZATRIPTAN SULPHATE
SmilesCN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O.O=S(=O)(O)O
InchiInChI=1S/2C15H19N5.H2O4S.H2O/c2*1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-5(2,3)4;/h2*3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4);1H2
Inchi KeySMWLLNMVQNVPLD-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.44
Records Key['RIZATRIPTAN SULFATE']
Records Name['RIZATRIPTAN SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure