Bioactive Compound Details

BioIDbio2159
NameBEPIASTINE
ChEMBL IDCHEMBL2104171
Molecular FormulaC16H17N3OS
Molecular Weight299.4
Molecular Weight (Monoisotopic)299.1092
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBEPIASTINA|BEPIASTINE|UP 107|UP-107
SmilesCN(C)CCN1C(=O)c2cccnc2Sc2ccccc21
InchiInChI=1S/C16H17N3OS/c1-18(2)10-11-19-13-7-3-4-8-14(13)21-15-12(16(19)20)6-5-9-17-15/h3-9H,10-11H2,1-2H3
Inchi KeyZEWJVHFRQFCLFW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.44
Records Key['BEPIASTINE']
Records Name['BEPIASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure