carbidopa   Click here for help

GtoPdb Ligand ID: 5159

Synonyms: Duodopa® | Lodosyn®
Approved drug PDB Ligand
carbidopa is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Carbidopa was originally approved by the FDA in combination with levodopa in 1975. Carbidopa is a noncompetitive decarboxylase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 115.81
Molecular weight 226.1
XLogP 0.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C
Isomeric SMILES NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C
InChI InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
InChI Key TZFNLOMSOLWIDK-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
International Nonproprietary Names Click here for help
INN number INN
3258 carbidopa
Synonyms Click here for help
Duodopa® | Lodosyn®
Database Links Click here for help
CAS Registry No. 28860-95-9
ChEBI CHEBI:39585
ChEMBL Ligand CHEMBL1201236
DrugBank Ligand DB00190
DrugCentral Ligand 496
GtoPdb PubChem SID 178101851
PubChem CID 34359
RCSB PDB Ligand 142
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Wikipedia Carbidopa

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Tocris
(S)-(-)-Carbidopa
Cat. No. 0455