Bioactive Compound Details

BioIDbio1999
NameTIMAPIPRANT
ChEMBL IDCHEMBL560993
Molecular FormulaC21H17FN2O2
Molecular Weight348.38
Molecular Weight (Monoisotopic)348.1274
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCHF-6532|OC-000459|OC-459|OC000459|OC459|ODC-9101|TIMAPIPRANT
SmilesCc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O
InchiInChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
Inchi KeyFATGTHLOZSXOBC-UHFFFAOYSA-N
Molecular SpeciesACID
Targets41.0
Bioactivities998.0
Np Likeness Score-1.07
Records Key['29', '1, Oxagen', '17', 'OC000459', 'TIMAPIPRANT', '4409', 'OC000459', 'OC000459', 'COVC-1211729293', 'OC000459', 'EUB0000781a', 'EUB0000781a', 'EUB0000781a', 'EUB0000781a']
Records Name['2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid', '2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid', '2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid', 'OC000459', 'TIMAPIPRANT', None, 'OC000459', 'OC000459', 'TIMAPIPRANT', 'OC000459', 'OC000459', 'OC000459', 'OC000459', 'OC000459']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure