Bioactive Compound Details

BioIDbio3167
NameMOTOLIMOD
ChEMBL IDCHEMBL3301618
Molecular FormulaC28H34N4O2
Molecular Weight458.61
Molecular Weight (Monoisotopic)458.2682
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMOTOLIMOD|VTX-2337|VTX-378
SmilesCCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1
InchiInChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
Inchi KeyQSPOQCXMGPDIHI-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities22.0
Np Likeness Score-0.78
Records Key['MOTOLIMOD', 'Motolimod', 'MOTOLIMOD', 'Motolimod', 'MOTOLIMOD', 'MOTOLIMOD', 'MOTOLIMOD', 'COVC-3356493123', 'Motolimod', '3, VTX-2337', 'Motolimod', 'VTX-2337', 'EOS101145', '4; VTX-2337', '308; VTX-2337', '37; VTX-2337']
Records Name['MOTOLIMOD', 'Motolimod', 'MOTOLIMOD', 'Motolimod', 'MOTOLIMOD', 'MOTOLIMOD', 'MOTOLIMOD', 'MOTOLIMOD', 'Motolimod', '2-amino-N,N-dipropyl-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepine-4-carboxamide', 'Motolimod', 'Motolimod', 'MOTOLIMOD', '2-amino-N,N-dipropyl-8-(4-(pyrrolidine-1-carbonyl)phenyl)-3H-benzo[b]azepine-4-carboxamide', 'Motolimod', 'Motolimod']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure