Bioactive Compound Details

BioIDbio3037
NameLAROPIPRANT
ChEMBL IDCHEMBL426559
Molecular FormulaC21H19ClFNO4S
Molecular Weight435.9
Molecular Weight (Monoisotopic)435.0707
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCORDAPTIVE|LAROPIPRANT|Laropiprant|MK-0524
SmilesCS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3
InchiInChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
Inchi KeyNXFFJDQHYLNEJK-CYBMUJFWSA-N
Molecular SpeciesACID
Targets129.0
Bioactivities241.0
Np Likeness Score-0.81
Records Key['13, MK-0524', 'LAROPIPRANT', 'LAROPIPRANT', 'LAROPIPRANT', 'Laropiprant', 'Laropiprant', 'Laropiprant', 'EUB0000459a', 'Laropiprant', 'EUB0000459a', 'EUB0000459a', 'LAROPIPRANT', 'EUB0000459a', 'laropiprant', 'EUB0000459a']
Records Name['[(3R)-4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-acetic acid', 'LAROPIPRANT', 'LAROPIPRANT', 'LAROPIPRANT', 'Laropiprant', 'Laropiprant', 'Laropiprant', 'LAROPIPRANT', 'Laropiprant', 'LAROPIPRANT', 'LAROPIPRANT', 'LAROPIPRANT', 'LAROPIPRANT', 'laropiprant', 'LAROPIPRANT']
Withdrawn FlagTrue
Orphan0

Molecular Structure

2D Molecular Structure