Bioactive Compound Details

BioIDbio2945
NameMELEVODOPA
ChEMBL IDCHEMBL1328898
Molecular FormulaC10H13NO4
Molecular Weight211.22
Molecular Weight (Monoisotopic)211.0845
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCHF-1301|LEVOMET|MELEVODOPA
SmilesCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1
InchiInChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m0/s1
Inchi KeyXBBDACCLCFWBSI-ZETCQYMHSA-N
Molecular SpeciesNEUTRAL
Targets48.0
Bioactivities66.0
Np Likeness Score0.93
Records Key['SID50111022', 'MELEVODOPA', 'SID11111051', 'SID90341190', 'MELEVODOPA', 'L-Dopa methyl ester hydrochloride', 'L-Dopa methyl ester hydrochloride', 'melevodopa', 'MELEVODOPA', 'melevodopa', 'melevodopa']
Records Name['SID50111022', 'MELEVODOPA', 'SID11111051', 'SID90341190', 'MELEVODOPA', 'L-Dopa methyl ester hydrochloride', 'L-Dopa methyl ester hydrochloride', 'melevodopa', 'MELEVODOPA', 'melevodopa', 'melevodopa']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure