| Compound Information | SONAR Target prediction | | Name: | CARBIDOPA | | Unique Identifier: | SPE01502150 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 212.118 g/mol | | X log p: | 5.257 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(Cc1ccc(O)c(O)c1)(NN)C(O)=O | | Source: | synthetic | | Therapeutics: | decarboxylase inhibitor, antiparkinsonism | | Generic_name: | Carbidopa | | Chemical_iupac_name: | 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid | | Drug_type: | Approved Drug | | Kegg_compound_id: | C07562 | | Drugbank_id: | APRD00160 | | Melting_point: | 203-205oC | | H2o_solubility: | 3.8 mg/L | | Logp: | 0.494 | | Cas_registry_number: | 28860-95-9 | | Drug_category: | Dopamine Agents; Antiparkinson Agents; Antidyskinetics; ATC:N04BA | | Indication: | For treatment of the symptoms of idiopathic Parkinson-s disease (paralysis agitans),
post-encephalitic parkinsonism | | Pharmacology: | Carbidopa, a noncompetitive decarboxylase inhibitor, is used in combination with
levodopa for the treatment of Parkinson-s disease. | | Mechanism_of_action: | When mixed with levodopa, carbidopa inhibits the peripheral conversion of levodopa
to dopamine and the decarboxylation of oxitriptan to serotonin by aromatic L-amino
acid decarboxylase. This results in increased amount of levodopa and oxitriptan
available for transport to the CNS. Carbidopa also inhibits the metabolism of
levodopa in the GI tract, thus, increasing the bioavailability of levodopa. | | Organisms_affected: | Humans and other mammals |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7417±0.000989949 |
| Normalized OD Score: sc h |
1.0087±0.00272095 |
| Z-Score: |
0.4609±0.134633 |
| p-Value: |
0.646386 |
| Z-Factor: |
-5.93045 |
| Fitness Defect: |
0.4364 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 5|A5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00073 | | Plate DMSO Control (-): | 0.7159±0.01647 | | Plate Z-Factor: | 0.9139 |
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| 2563 |
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid |
| 34359 |
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid |
| 38101 |
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid hydrate |
| 104778 |
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid |
| 441193 |
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid |
| 441291 |
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid hydrate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 10977 | Additional Members: 9 | Rows returned: 4 | |
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