Bioactive Compound Details

BioIDbio2858
NameRIZATRIPTAN BENZOATE
ChEMBL IDCHEMBL1201032
Molecular FormulaC22H25N5O2
Molecular Weight391.48
Molecular Weight (Monoisotopic)269.164
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMAXALT|MAXALT-MLT|MK-0462|NSC-758919|RIZAFILM|RIZATRIPTAN BENZOATE
SmilesCN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InchiInChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)
Inchi KeyJPRXYLQNJJVCMZ-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets13.0
Bioactivities16.0
Np Likeness Score-1.44
Records Key['RIZATRIPTAN BENZOATE', 'Rizatriptan benzoate', 'Rizatriptan benzoate', 'RIZATRIPTAN BENZOATE', 'RIZATRIPTAN BENZOATE', 'SAM001246615', 'RIZATRIPTAN BENZOATE (MAXALT)', 'Rizatriptan Benzoate (Maxalt)', 'Rizatriptan Benzoate (Maxalt)']
Records Name['RIZATRIPTAN BENZOATE', 'Rizatriptan benzoate', 'Rizatriptan benzoate', 'RIZATRIPTAN BENZOATE', 'RIZATRIPTAN BENZOATE', 'C0164740', 'RIZATRIPTAN BENZOATE (MAXALT)', 'Rizatriptan Benzoate (Maxalt)', 'Rizatriptan Benzoate (Maxalt)']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure