PENICILLAMINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01CC01
UNII GNN1DV99GX
EPA CompTox DTXSID6037069

Structure

InChI Key VVNCNSJFMMFHPL-VKHMYHEASA-N
Smiles CC(C)(S)[C@@H](N)C(=O)O
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2S
Molecular Weight 149.22
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Copper chelating agent CHELATING AGENT DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100.44-123.95
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 100.44-123.95
Rattus norvegicus
- - - - 36

Cross References

Resources Reference
ChEBI 7959
ChEMBL CHEMBL1430
DrugBank DB00859
DrugCentral 2081
FDA SRS GNN1DV99GX
Guide to Pharmacology 7264
KEGG C07418
PDB LEI
PharmGKB PA450840
PubChem 5852
SureChEMBL SCHEMBL4343
ZINC ZINC000000114127
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