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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL609
CHEMBL609
Compound Name TRIENTINE
ChEMBL Synonyms Syprine | SYPRINE | METALITE | TRIENTINE | MK-0681 | TRIENTINE DIHYDROCHLORIDE | TRIENTINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names SYPRINE | METALITE | Syprine
Molecular Formula C6H18N4

Additional synonyms for CHEMBL609 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCNCCNCCN
Standard InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
Standard InChI Key VILCJCGEZXAXTO-UHFFFAOYSA-N

Sources

  • British National Formulary
  • 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


CHEMBL609

Molecule Features

CHEMBL609 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Copper chelating agent Copper DailyMed ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MelanomaD008545EFO:0000756melanoma1ClinicalTrials
Hepatolenticular DegenerationD006527Orphanet:905Wilson disease3ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials

Clinical Data

ClinicalTrials.gov TRIENTINE
The Cochrane Collaboration TRIENTINE

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
146.2 146.1531 -1.92 7 76.1 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.05 -1.99 -6.05 0 10 0.32

Structural Alerts

There are 4 structural alerts for CHEMBL609. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A16 - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AX - Various alimentary tract and metabolism products
A16AX12 - trientine

ChemSpider ChemSpider:VILCJCGEZXAXTO-UHFFFAOYSA-N
DailyMed trientine hydrochloride
PubChem SID: 144204713 SID: 144208264 SID: 170465257 SID: 17389525
Wikipedia Triethylenetetramine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL609



ACToR 112-24-3 105093-20-7
BindingDB 50323751
Brenda 10799
ChEBI 39501
ChemicalBook CB8183772
DrugBank DB06824
DrugCentral 2738
eMolecules 480649
EPA CompTox Dashboard DTXSID9023702
FDA SRS SJ76Y07H5F
IBM Patent System F875DE1FDA09D3E5470E987CC942356D
KEGG Ligand C07166
LINCS LSM-45752
Mcule MCULE-3203769500
MolPort MolPort-003-926-271
Nikkaji J5.120I
PDBe 104
PubChem 5565
PubChem: Thomson Pharma 15297406
SureChEMBL SCHEMBL15439
ZINC ZINC000019364225

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