General Information of the Compound
Compound ID
CP0047919
Compound Name
3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE
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Synonyms
(-)-3-(3,4-Dihydroxyphenyl)-2-Methyl-L-Alanine Sesqui-Hydrate
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
(S)-(-)-alpha-Methyldopa
3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE
3-Hydroxy-.alpha.-methyl-L-tyrosine
3-Hydroxy-alpha-methyl-L-tyrosine
AMD
Aldomet (TN)
Aldometil
Aldomin
Aldoril (TN)
Aldoril D30
Aldoril D50
Aldoril, Dopamet, Dopegyt, Methyldopa
Alpha medopa
Alpha-Methyl dopa
Alpha-Methyl-L-3,4-dihydroxyphenylalanine
Alpha-Methyl-beta-(3,4-dihydroxyphenyl)-L-alanine
Alpha-Methyldihydroxyphenylalanine
Alpha-Methyldopa
Alpha-Methyldopa (VAN)
Alphamethyldopa
Apo-Methyldopa
Bayer 1440 L
Baypresol
Becanta
Dopamet
Dopamet (TN)
Dopamethyperpax
Dopatec
Dopegit
Dopegyt
Dopegyt (TN)
Dopergit
Grospisk
Hyperpax
Hypolag
L(-)-beta-(3,4-Dihydroxyphenyl)-alpha-methylalanine
L-(-)-3-(3,4-Dihydroxyphenyl)-2-methylalanine
L-(-)-alpha-Methyl-beta-(3,4-dihydroxyphenyl)alanine
L-(alpha-Md)
L-2-Amino-2-methyl-3-(3,4-dihydroxyphenyl)propionic acid
L-3-(3,4-Dihydroxyphenyl)-2-methylalanine
L-Methyl Dopa
L-Methyldopa
L-alpha-Methyl DOPA
L-alpha-Methyl-3,4-dihydroxyphenylalanine
L-alpha-Methyldopa
LT00847269
Levo-3-(3,4-Dihydroxyphenyl)-2-methylalanine
METHYL DOPA (SEE ALSO METHYL DOPA SESQUIHYDRATE)
MK 351
MK-351
Medomet
Medopa
Medopal
Medopren
Methoplain
Methyl dopa
Methyl-L-dopa
Methyldopa
Methyldopa (INN)
Methyldopa (L,-)
Methyldopa (anhydrous)
Methyldopa anhydrous
Methyldopum
Methyldopum [INN-Latin]
Metildopa
Metildopa [INN-Spanish]
Mk. b51
Novomedopa
Nr.C 2294
Nu-Medopa
Presinol
Presolisin
Sedometil
Sembrina
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Structure
Formula
C10H13NO4
Molecular Weight
211.217
Canonical SMILES
C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
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InChI
InChI=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
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InChIKey
CJCSPKMFHVPWAR-JTQLQIEISA-N
CAS
2799-15-7
555-30-6
Physicochemical Property
logP
0.4423
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
103.78
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 38853
SID: 14748911
ChEMBL ID
CHEMBL459
DrugBank ID
DB00968
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 2818.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 16481.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Methyldopa )
Drug Name Methyldopa
Company Ivax pharmaceutical
Indication
Hypertension
Approved
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Agonist