Bioactive Compound Details

BioIDbio3013
NameMETHYLDOPA
ChEMBL IDCHEMBL459
Molecular FormulaC10H13NO4
Molecular Weight211.22
Molecular Weight (Monoisotopic)211.0845
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(-)-.ALPHA.-METHYLDOPA|(S)-(-)-.ALPHA.-METHYLDOPA|.ALPHA.-METHYL-L-DOPA|ALDOMET|ALPHA-METHYLDOPA|ANHYDROUS METHYLDOPA|BAYER-1440L|DOPAMET|J9.247I|L-.ALPHA.-METHYLDOPA|LEDERDOPA|MEDOMET|METALPHA 250|METALPHA 500|METHYLDOPA|METHYLDOPA (LEVOROTATORY)|METHYLDOPA ANHYDROUS|METHYLDOPA HYDRATE|METHYLDOPA SESQUIHYDRATE|METHYLDOPA, ANHYDROUS|METILDOPA|MK-351|NSC-169916|NSC-760080
SmilesC[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
InchiInChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
Inchi KeyCJCSPKMFHVPWAR-JTQLQIEISA-N
Molecular SpeciesZWITTERION
Targets217.0
Bioactivities2525.0
Np Likeness Score1.09
Records Key['alpha-Me-Dopa', 'alpha-Methyl-Dopa', 'methyldopa', 'Alpha-Me-Dopa', 'methyldopa', 'Methyldopa', 'alpha-methyl-DOPA', 'Methyldopa', 'alpha-methyldopa', 'L-alpha-Methyl DOPA', '1 ((S)-alpha-MD)', 'Methyldopa', '208', 'SID50104474', 'methyldopa', 'METHYLDOPA', 'methyldopa', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'SID90341702', 'Methyldopa', '65, Methyldopa', 'Methyldopa', 'SID8139902', 'Methyldopa', 'methyldopa', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'SID11113581', 'methyldopa', 'SID124886927', 'methyldopa', 'l-alpha-methyl-Dopa', 'SID144209808', 'METHYLDOPA', 'METHYLDOPA', 'Alpha-methyldopa', 'methyldopa 50 micromolar', '138 (table SVIII)', 'METHYLDOPA', 'METHYLDOPA', 'Methyldopa', 'DL-alpha-Me-Dopa', '(L) Methyldopa', 'METHYLDOPA', 'METHYLDOPA', 'COVC-2286484880', 'Methyldopa', 'alpha-Me-Dopa', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'Methyldopa', 'alpha-Methyldopa', 'METHYLDOPA', 'methyldopa 2 micromolar', 'methyldopa 10 micromolar', '207', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'methyldopa', 'BA1000546']
Records Name['2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid (alpha-Me-Dopa)', 'alpha-Methyl-Dopa', '2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid', '2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid (Alpha-Me-Dopa)', '2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid', 'Methyldopa', '(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid', 'Methyldopa', '(S)-2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid', '(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid', '2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid ((S)-alpha-MD)', 'Methyldopa', 'Methyldopa', 'SID50104474', 'methyldopa', 'Methyldopa', 'methyldopa', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'SID90341702', 'Methyldopa', '(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid', 'Methyldopa', 'SID8139902', 'Methyldopa', 'methyldopa', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'SID11113581', 'methyldopa', 'SID124886927', 'methyldopa', 'l-alpha-methyl-3,4-dihydroxyphenylalanine', 'SID144209808', 'METHYLDOPA', 'METHYLDOPA', 'Alpha-methyldopa', 'methyldopa', '(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid', 'METHYLDOPA', 'METHYLDOPA', 'Methyldopa', '2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid', '(L) Methyldopa', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'Methyldopa', '(S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid', 'METHYLDOPA', 'Methyldopa', 'Methyldopa', 'Methyldopa', 'alpha-Methyldopa', 'METHYLDOPA', 'methyldopa', 'methyldopa', 'L-Methyldopa', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'METHYLDOPA', 'methyldopa', 'METHYLDOPA']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure