Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

S-(-)-Carbidopa

Unique Identifier:LOPAC 00251
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H14N2O4
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
Class:Biochemistry
Action:Inhibitor
Selectivity:Aromatic amino acid decarboxylase
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: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8733±0.0987928
Normalized OD Score: sc h 1.0324±0.0356747
Z-Score: 1.0148±1.11187
p-Value: 0.320782
Z-Factor: -5.39083
Fitness Defect: 1.137
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04706875±0.00209
Plate DMSO Control (-):0.7644374999999999±0.04321
Plate Z-Factor:0.8209
png
ps
pdf

DBLink | Rows returned: 92 Next >> 
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
SPE01502150 1.0000

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

Service provided by the Mike Tyers Laboratory