Bioactive Compound Details

BioIDbio2897
NameTOZADENANT
ChEMBL IDCHEMBL2105747
Molecular FormulaC19H26N4O4S
Molecular Weight406.51
Molecular Weight (Monoisotopic)406.1675
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsA-2A (3)|A2A (3)|A2A-(3)|RO-4494351|RO-4494351-000|RO-4494351-002|RO-4494351000|RO4494351|RO4494351-000|RO4494351-002|SYN-115|SYN115|TOZADENANT|Tozadenant
SmilesCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
InchiInChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
Inchi KeyXNBRWUQWSKXMPW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets17.0
Bioactivities48.0
Np Likeness Score-1.42
Records Key['2; SYN-115', 'TOZADENANT', 'TOZADENANT', 'TOZADENANT', 'Tozadenant', '37, SYN115', 'Tozadenant', 'X', '13j; Toz', '6', 'Tozadenant', '36', 'SYN115; 38a']
Records Name['Tozadenant', 'TOZADENANT', 'TOZADENANT', 'TOZADENANT', 'Tozadenant', 'Tozadenant', 'Tozadenant', 'Tozadenant', '4-Hydroxy-4-methyl-N-(4-methoxy-7-morpholinobenzo[d]thiazol-2-yl)piperidine-1-carboxamide; Tozadenant', 'Tozadenant', 'Tozadenant', 'Tozadenant', 'Tozadenant']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure