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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201236
CHEMBL1201236
Compound Name CARBIDOPA
ChEMBL Synonyms Carbidopa hydrate | CARBIDOPA | LODOSYN
Max Phase 4 (Approved)
Trade Names CARBIDOPA | LODOSYN
Molecular Formula C10H14N2O4

Additional synonyms for CHEMBL1201236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
Standard InChI InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4- ...
Download InChI
Standard InChI Key TZFNLOMSOLWIDK-JTQLQIEISA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201236

Molecule Features

CHEMBL1201236 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DOPA decarboxylase inhibitor DOPA decarboxylase DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Angelman SyndromeD017204Orphanet:72Angelman syndrome1ClinicalTrials
AsthmaD001249EFO:0000270asthma1ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia2ClinicalTrials
Hypotension, OrthostaticD007024EFO:0005252orthostatic hypotension1ClinicalTrials
Retinitis PigmentosaD012174Orphanet:791Retinitis pigmentosa2ClinicalTrials
Spinal Cord InjuriesD013119EFO:1001919Spinal cord injury1ClinicalTrials
Parkinson Disease, SecondaryD010302EFO:1001175secondary Parkinson disease4DailyMed
SchizophreniaD012559EFO:0000692schizophrenia2ClinicalTrials
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease4ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
Parkinson Disease, PostencephaliticD010301EFO:1001402postencephalitic Parkinson disease4DailyMed
Tobacco Use DisorderD014029EFO:0003768nicotine dependence1ClinicalTrials
Dysautonomia, FamilialD004402Orphanet:1764Familial dysautonomia3ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis1ClinicalTrials

Clinical Data

ClinicalTrials.gov CARBIDOPA
The Cochrane Collaboration CARBIDOPA

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201236. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.999
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.983
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.946
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.944
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.545
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.516
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.514
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.409
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.312
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.260



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.998
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.973
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.914
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.893
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.813
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.774
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.697
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.692
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.658
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.636
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.441
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.435
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.230
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 0.209

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
226.2 226.0954 -0.05 4 115.81 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.4 7.76 -1.75 -4.32 1 16 0.28

Structural Alerts

There are 7 structural alerts for CHEMBL1201236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TZFNLOMSOLWIDK-JTQLQIEISA-N
DailyMed carbidopa
PubChem SID: 11113507 SID: 144204461 SID: 26749935 SID: 29215028 SID: 50104417 SID: 50104418 SID: 8139862 SID: 93576631
Wikipedia Carbidopa

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201236



ACToR 27925-91-3 28860-95-9 14585-65-0
BindingDB 50418773
Brenda 86933 204537 96671 5137 96134
ChEBI 39585
ChemicalBook CB5738078
DrugBank DB00190
DrugCentral 496
eMolecules 29534104 535771 1985936
EPA CompTox Dashboard DTXSID4022735
FDA SRS KR87B45RGH
Guide to Pharmacology 5159
Human Metabolome Database HMDB0014336
IBM Patent System 090FDAD05691A2D2A52056E466365347
LINCS LSM-5850
Mcule MCULE-3726796258
MolPort MolPort-046-033-689 MolPort-003-940-629
Nikkaji J17.160C
PDBe 142
PharmGKB PA448794
PubChem 28082766 34359
PubChem: Thomson Pharma 14773700
Selleck Carbidopa
SureChEMBL SCHEMBL35084
ZINC ZINC000019168887

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/TZFNLOMSOLWIDK-JTQLQIEISA-N spacer
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