Bioactive Compound Details

BioIDbio2951
NamePALOSURAN
ChEMBL IDCHEMBL567303
Molecular FormulaC25H30N4O2
Molecular Weight418.54
Molecular Weight (Monoisotopic)418.2369
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsACT-058362|PALOSURAN
SmilesCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
InchiInChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
Inchi KeyWYJCYXOCHXWTHG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets71.0
Bioactivities1031.0
Np Likeness Score-1.2
Records Key['PALOSURAN', 'PALOSURAN', 'Palosuran', '9, Palosuran', '1', 'PALOSURAN', 'Palosuran', 'PALOSURAN', 'PALOSURAN', 'COVC-3898589130', 'Palosuran', 'EUB0000947a', 'EUB0000947a', 'EUB0000947a', 'EUB0000947a', 'EUB0000947a', 'EUB0000947a']
Records Name['PALOSURAN', 'PALOSURAN', 'Palosuran', '1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea', 'Palosuran', 'PALOSURAN', 'Palosuran', 'PALOSURAN', 'PALOSURAN', 'PALOSURAN', 'Palosuran', 'Palosuran', 'Palosuran', 'Palosuran', 'Palosuran', 'Palosuran', 'Palosuran']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure