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Compound InformationSONAR 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 Failures1
TPSA17.07
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

Found: 205 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: UBP6
Replicates: 2
Raw OD Value: r im 0.6540±0.0183141
Normalized OD Score: sc h 0.9862±0.00413525
Z-Score: -0.5629±0.19896
p-Value: 0.577314
Z-Factor: -5.98707
Fitness Defect: 0.5494
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-01-24 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00240
Plate DMSO Control (-):0.641975±0.01639
Plate Z-Factor:0.8907
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DBLink | Rows returned: 9<< Back 1 2
676113 (2R)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methyl-propanoic acid
6920134 (2R)-2-azaniumylammonio-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate
6920135 (2S)-2-azaniumylammonio-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate

internal high similarity DBLink | Rows returned: 1
LOPAC 00251 1.0000

active | Cluster 10977 | Additional Members: 9 | Rows returned: 4
SPE01505384 0.307692307692308
LOPAC 00613 0
LOPAC 01063 0
SPE01500403 0

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