| BioID | bio2007 |
|---|
| Name | METHYLDOPA (RACEMIC) |
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| ChEMBL ID | CHEMBL718 |
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| Molecular Formula | C10H13NO4 |
|---|
| Molecular Weight | 211.22 |
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| Molecular Weight (Monoisotopic) | 211.0845 |
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| Type | Small molecule |
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| Max Phase | Phase 1 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | 2-Amino-3-(3,4-Dihydroxy-Phenyl)-2- Methyl-Propionic Acid(Catechol Metabolite)|DL-.ALPHA.-METHYL DOPA|DL-METHYLDOPA|METHYLDOPA (RACEMIC)|METHYLDOPA DL-FORM|Methyldopa (Racemic)|RACEMIC .ALPHA.-METHYLDOPA |
|---|
| Smiles | CC(N)(Cc1ccc(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) |
|---|
| Inchi Key | CJCSPKMFHVPWAR-UHFFFAOYSA-N |
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| Molecular Species | ZWITTERION |
|---|
| Targets | 38.0 |
|---|
| Bioactivities | 58.0 |
|---|
| Np Likeness Score | 1.09 |
|---|
| Records Key | ['(RS)-alpha-MD', 'SID50106598', 'SID85231121', '(+/-)-3-(3,4-dihydroxyphenyl)-2-methyl-DL-alanine', 'SID50106599', 'SID174006847', 'a-methyl-DOPA (table SV)', 'METHYLDOPA (RACEMIC)', 'SID90340754', 'METHYLDOPA (RACEMIC)', 'SAM002554912', 'COVC-0677961156'] |
|---|
| Records Name | ['2-Amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid ((RS)-alpha-MD)', 'SID50106598', 'SID85231121', '(+/-)-3-(3,4-dihydroxyphenyl)-2-methyl-DL-alanine', 'SID50106599', 'SID174006847', 'a-methyl-DOPA', 'METHYLDOPA (RACEMIC)', 'SID90340754', 'METHYLDOPA (RACEMIC)', 'C0164790', 'METHYLDOPA'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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