ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1430
CHEMBL1430
Compound Name PENICILLAMINE
ChEMBL Synonyms DIMETHYLCYSTEINE | DEPEN | DISTAMINE | PENICILLAMINE | Trolovol | D Mercaptovaline | D Penicillamine | CUPRIMINE
Max Phase 4 (Approved)
Trade Names Trolovol | DEPEN | D Mercaptovaline | CUPRIMINE | D Penicillamine | DISTAMINE
Molecular Formula C5H11NO2S

Additional synonyms for CHEMBL1430 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(S)[C@@H](N)C(=O)O
Standard InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8 ...
Download InChI
Standard InChI Key VVNCNSJFMMFHPL-VKHMYHEASA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1430

Molecule Features

CHEMBL1430 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:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Copper chelating agent Copper DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Vitamin D DeficiencyD014808EFO:0003762vitamin D deficiency2ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials

Clinical Data

ClinicalTrials.gov PENICILLAMINE
The Cochrane Collaboration PENICILLAMINE

Metabolites for CHEMBL1430

Open in full screen

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
149.2 149.051 0.11 2 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.13 11.64 .85 -1.66 0 9 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL1430. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01C - SPECIFIC ANTIRHEUMATIC AGENTS
M01CC - Penicillamine and similar agents
M01CC01 - penicillamine

ChemSpider ChemSpider:VVNCNSJFMMFHPL-VKHMYHEASA-N
DailyMed penicillamine
PubChem SID: 144204450 SID: 29215023
Wikipedia Penicillamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1430



ACToR 16414-54-3 52-67-5 1113-41-3
Atlas D-penicillamine
BindingDB 50217941 39346
Brenda 2733 166014
ChEBI 7959
ChemicalBook CB5742367
DrugBank DB00859
DrugCentral 2081
eMolecules 530402
EPA CompTox Dashboard DTXSID6037069
FDA SRS GNN1DV99GX
Guide to Pharmacology 7264
IBM Patent System B04D5207ED3EAF632807A9B18789C52F
KEGG Ligand C07418
Mcule MCULE-9856748563 MCULE-5986342172
MolPort MolPort-001-792-382
Nikkaji J9.116B
PDBe LEI
PharmGKB PA450840
PubChem 6926437 5852
PubChem: Thomson Pharma 15194697
Selleck Penicillamine(Cuprimine)
SureChEMBL SCHEMBL4343
ZINC ZINC000000114127

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