Bioactive Compound Details

BioIDbio2370
NameCILADOPA HYDROCHLORIDE
ChEMBL IDCHEMBL2106075
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91
Molecular Weight (Monoisotopic)370.1893
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAY-27,110|AY-27110|CILADOPA HCL|CILADOPA HYDROCHLORIDE
SmilesCOc1ccc([C@H](O)CN2CCN(c3cccccc3=O)CC2)cc1OC.Cl
InchiInChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H/t19-;/m1./s1
Inchi KeyUIOUCVPFPQUSAS-FSRHSHDFSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.62
Records Key['CILADOPA HYDROCHLORIDE']
Records Name['CILADOPA HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure