Bioactive Compound Details

BioIDbio2128
NameBESIPIRDINE
ChEMBL IDCHEMBL29835
Molecular FormulaC16H17N3
Molecular Weight251.33
Molecular Weight (Monoisotopic)251.1422
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBESIPIRDINA|BESIPIRDINE
SmilesCCCN(c1ccncc1)n1ccc2ccccc21
InchiInChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
Inchi KeyOTPPJICEBWOCKD-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets22.0
Bioactivities59.0
Np Likeness Score-0.93
Records Key['Besipirdine, HP 749', '4c', '1', '61']
Records Name['Indol-1-yl-propyl-pyridin-4-yl-amine', 'Indol-1-yl-propyl-pyridin-4-yl-amine', 'Indol-1-yl-propyl-pyridin-4-yl-amine', 'Indol-1-yl-propyl-pyridin-4-yl-amine (Besipirdine)']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure