Bioactive Compound Details

BioIDbio3076
NameMIBAMPATOR
ChEMBL IDCHEMBL1277001
Molecular FormulaC21H30N2O4S2
Molecular Weight438.62
Molecular Weight (Monoisotopic)438.1647
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLY 451395|LY-451395|LY451395|MIBAMPATOR|Mibampator
SmilesCC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
InchiInChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
Inchi KeyULRDYYKSPCRXAJ-KRWDZBQOSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities10.0
Np Likeness Score-0.9
Records Key['21', 'Mibampator', 'MIBAMPATOR', 'MIBAMPATOR', 'MIBAMPATOR', 'Mibampator', 'Mibampator']
Records Name[(R)-N-(2-(4'-(2-(methylsulfonamido)ethyl)biphenyl-4-yl)propyl)propane-2-sulfonamide", 'Mibampator', 'MIBAMPATOR', 'MIBAMPATOR', 'MIBAMPATOR', 'Mibampator', 'Mibampator']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure