Bioactive Compound Details

BioIDbio2948
NameINTEPIRDINE
ChEMBL IDCHEMBL1083390
Molecular FormulaC19H19N3O2S
Molecular Weight353.45
Molecular Weight (Monoisotopic)353.1198
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsGSK-742457|GSK742457|INTEPIRDINA|INTEPIRDINE|RVT-101|SB-742457
SmilesO=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InchiInChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
Inchi KeyJJZFWROHYSMCMU-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets39.0
Bioactivities1091.0
Np Likeness Score-1.33
Records Key['40, SB-742457', 'SB-742457', 'Intepirdine', 'SB-742457', 'Intepirdine脗', '2, SB-742457', 'INTEPIRDINE', 'SB-742457', 'INTEPIRDINE', 'SB-742457', 'SB 742457', 'SB-742457', 'SB-742457', 'SB-742457', '5, SB-742457', 'SB742457', 'SB-742457', 'Intepirdine脢', 'SB-742457', '49, SB-742 457', 'Intepirdine', 'SB-742457', 'COVC-2820826247', 'Intepirdine', 'Intepirdine', '13', 'Intepirdine', 'EUB0000768a', 'EUB0000768a', 'EUB0000768a', 'Intepirdine', 'EUB0000768a', 'SB-742457', '6; SB-742457']
Records Name['3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', 'Intepirdine', 'SB-742457', 'Intepirdine脗', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', 'INTEPIRDINE', 'Intepirdine', 'INTEPIRDINE', '3-benzenesulfonyl-8-piperazin-1-ylquinoline', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', 'Intepirdine', 'Intepirdine', 'SB-742457', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', 'Intepirdine脢', 'SB-742457', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', 'Interpirdine', 'SB-742457', 'SB-742457', 'Intepirdine', 'Intepirdine', 'Intepirdine', 'Intepirdine', 'INTEPIRDINE', 'INTEPIRDINE', 'INTEPIRDINE', 'Intepirdine', 'INTEPIRDINE', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline', '3-(phenylsulfonyl)-8-(piperazin-1-yl)quinoline']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure