Bioactive Compound Details

BioIDbio3299
NameSUNOBINOP
ChEMBL IDCHEMBL5095040
Molecular FormulaC26H33N3O3
Molecular Weight435.57
Molecular Weight (Monoisotopic)435.2522
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsIMB-115|IMB115|RSC-117957|RSC117957|SUNOBINOP|V-117957|V117957
SmilesO=C(O)c1nc2ccccc2n([C@@H]2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O
InchiInChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16-,17+,18-,19+,20?,21-
Inchi KeyCOTYYZPYDJKKIS-UNSFGCNMSA-N
Molecular SpeciesZWITTERION
TargetsNone
BioactivitiesNone
Np Likeness Score-0.23
Records Key['SUNOBINOP', 'SUNOBINOP']
Records Name['SUNOBINOP', 'SUNOBINOP']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure