Bioactive Compound Details

BioIDbio2132
NameFORASARTAN
ChEMBL IDCHEMBL315021
Molecular FormulaC23H28N8
Molecular Weight416.53
Molecular Weight (Monoisotopic)416.2437
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsFORASARTAN|SC-52458
SmilesCCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)nc2)n1
InchiInChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
Inchi KeyYONOBYIBNBCDSJ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets8.0
Bioactivities12.0
Np Likeness Score-1.53
Records Key['SC-52458', '3c', 'SC-52458', '1b', '49, SC-52458', 'FORASARTAN']
Records Name['5-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-2-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine', '5-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-2-[2-(2H-tetrazol-5-yl)-phenyl]-pyridine', '5-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-2-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine', '5-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-2-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine', '2-(2-(1H-tetrazol-5-yl)phenyl)-5-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)pyridine', 'FORASARTAN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure