Bioactive Compound Details

BioIDbio3055
NameRADIPRODIL
ChEMBL IDCHEMBL182066
Molecular FormulaC21H20FN3O4
Molecular Weight397.41
Molecular Weight (Monoisotopic)397.1438
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsRADIPRODIL|RGH-896|Radiprodil
SmilesO=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InchiInChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
Inchi KeyGKGRZLGAQZPEHO-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets13.0
Bioactivities25.0
Np Likeness Score-1.68
Records Key['1a, RGH-896', 'Radiprodil', 'Radiprodil', '3e', '1', 'RADIPRODIL', '2']
Records Name[N-[4-(4-Fluorobenzyl)piperidin-1-yl]-N'-(2-oxo-3H-1,3-benzoxazol-6-yl)oxamide", 'Radiprodil', 'Radiprodil', '2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-acetamide', 'Radiprodil', 'RADIPRODIL', 'Radiprodil']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure