Bioactive Compound Details

BioIDbio2248
NamePRANAZEPIDE
ChEMBL IDCHEMBL300072
Molecular FormulaC26H19FN4O2
Molecular Weight438.46
Molecular Weight (Monoisotopic)438.1492
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsPANAZEPIDE|PRANAZEPIDA|PRANAZEPIDE|Pranazepide
SmilesO=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
InchiInChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
Inchi KeyWKJDXKWFGJWGAS-XMMPIXPASA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities10.0
Np Likeness Score-0.62
Records Key['PRANAZEPIDE', 'FK-480 (1)', 'SID144206813', 'SID124894212']
Records Name['PRANAZEPIDE', '1H-Indole-2-carboxylic acid [(S)-1-(2-fluoro-phenyl)-4-oxo-3,4,6,7-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-3-yl]-amide', 'SID144206813', 'SID124894212']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure