Bioactive Compound Details

BioIDbio123188
NameMETHYLDOPATE HYDROCHLORIDE
ChEMBL IDCHEMBL1200432
Molecular FormulaC12H18ClNO4
Molecular Weight275.73
Molecular Weight (Monoisotopic)239.1158
TypeSmall molecule
Max PhasePhase 4
Target IDTar85
Target NameNone
SynonymsALDOMET|METHYLDOPA L-FORM ETHYL ESTER HYDROCHLORIDE|METHYLDOPATE HCL|METHYLDOPATE HYDROCHLORIDE|NSC-760088
SmilesCCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl
InchiInChI=1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H/t12-;/m0./s1
Inchi KeyQSRVZCCJDKYRRF-YDALLXLXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score0.63
Records Key['METHYLDOPATE HYDROCHLORIDE', 'SID144204076', 'SID170466856', 'methyldopate', 'methyldopate', 'METHYLDOPATE HYDROCHLORIDE', 'METHYLDOPATE HYDROCHLORIDE', 'METHYLDOPATE HYDROCHLORIDE', 'Methyldopate hydrochloride', 'METHYLDOPATE']
Records Name['METHYLDOPATE HYDROCHLORIDE', 'SID144204076', 'SID170466856', 'methyldopate', 'methyldopate', 'METHYLDOPATE HYDROCHLORIDE', 'METHYLDOPATE HYDROCHLORIDE', 'METHYLDOPATE HYDROCHLORIDE', 'Methyldopate hydrochloride', 'METHYLDOPATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure