Methyldopa
AlkaPlorer ID: AK320707
Synonym: None
IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
Structure
SMILES: CC(N)(CC1=CC=C(O)C(O)=C1)C(=O)O
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)
InChIKey: CJCSPKMFHVPWAR-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 211.217
TPSA？: 103.78000000000002
MolLogP？: 0.4423000000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 10.65 | % | 10.6019/CHEMBL4513141 |
| Candida albicans | Candida albicans | Inhibition | 3.32 | % | 10.6019/CHEMBL4513141 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | 7.73 | % | 10.6019/CHEMBL4513141 |
| Escherichia coli | Escherichia coli | Inhibition | 7.2 | % | 10.6019/CHEMBL4513141 |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 11193.6 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 10000.0 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 2238.7 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 35481.3 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 3162.3 | nM | None |
| Homo sapiens | Bloom syndrome protein | Potency | 25118.9 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 5323.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 562.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 1122.0 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 5623.4 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 12589.3 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 1888.8 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Potency | 3264.1 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 2377.8 | nM | None |
| Homo sapiens | HEK293 | Potency | 3533.8 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 794.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 946.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 3548.1 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 2511.9 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 3162.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 3981.1 | nM | None |
| Homo sapiens | M-phase phosphoprotein 8 | Potency | 2377.8 | nM | None |
| Homo sapiens | M-phase phosphoprotein 8 | Potency | 79432.8 | nM | None |
| Homo sapiens | Peripheral myelin protein 22 | Potency | 95283.4 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 10621.3 | nM | None |
| Homo sapiens | SH-SY5Y | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 631.0 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 2.57 | % | 10.6019/CHEMBL4513141 |
| Leishmania major | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase | Potency | 30131.3 | nM | None |
| Mus musculus | Mus musculus | LD50 | 1317.0 | mg.kg-1 | 10.1021/jm00186a007 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 18.91 | % | 10.6019/CHEMBL4513141 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 2993.5 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 18887.6 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | -29.5 | % | 10.6019/CHEMBL4513141 |
| Trypanosoma brucei | 6-phospho-1-fructokinase | Potency | 535.8 | nM | None |
| Trypanosoma brucei brucei | Phosphoglycerate kinase, glycosomal | Potency | 3013.1 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 0.7 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 1.2 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 9432.9 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 10000.0 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 11220.2 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 16774.4 | nM | None |
| None | No relevant target | pKa | 2.21 | None | 10.1007/s11095-013-1232-z |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Potency | 3533.8 | nM | None |
| None | Unchecked | Potency | 6284.1 | nM | None |