Bioactive Compound Details

BioIDbio2414
NameSIBOPIRDINE
ChEMBL IDCHEMBL3989670
Molecular FormulaC23H20N4O
Molecular Weight368.44
Molecular Weight (Monoisotopic)350.1531
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsDUP 921|DUP-921|SIBOPIRDINA|SIBOPIRDINE|SIBOPIRDINE MONOHYDRATE
SmilesO.c1cnc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cccnc1-2
InchiInChI=1S/C23H18N4.H2O/c1-3-19-21(26-9-1)22-20(4-2-10-27-22)23(19,15-17-5-11-24-12-6-17)16-18-7-13-25-14-8-18;/h1-14H,15-16H2;1H2
Inchi KeyNFNHFSQIMHVLMF-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.13
Records Key['SIBOPIRDINE']
Records Name['SIBOPIRDINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure