Bioactive Compound Details

BioIDbio2112
NamePICLOPASTINE
ChEMBL IDCHEMBL1742415
Molecular FormulaC20H26ClN3O2
Molecular Weight375.9
Molecular Weight (Monoisotopic)375.1714
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsPICLOPASTINA|PICLOPASTINE
SmilesOCCOCCN1CCN(C(c2ccc(Cl)cc2)c2ccccn2)CC1
InchiInChI=1S/C20H26ClN3O2/c21-18-6-4-17(5-7-18)20(19-3-1-2-8-22-19)24-11-9-23(10-12-24)13-15-26-16-14-25/h1-8,20,25H,9-16H2
Inchi KeyCQMJYIJMUFRNKJ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.49
Records Key['PICLOPASTINE']
Records Name['PICLOPASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure