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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1455
CHEMBL1455
Compound Name ALTRETAMINE
ChEMBL Synonyms HEXASTAT | ALTRETAMINE | HEXALEN | HEXAMETHYLMELAMINE
Max Phase 4 (Approved)
Trade Names HEXALEN | HEXASTAT
Molecular Formula C9H18N6

Additional synonyms for CHEMBL1455 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Standard InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6 ...
Download InChI
Standard InChI Key UUVWYPNAQBNQJQ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • 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


CHEMBL1455

Molecule Features

CHEMBL1455 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:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NeoplasmsD009369EFO:0000616neoplasm4ATC
LymphomaD008223EFO:0000574lymphoma1ClinicalTrials
SarcomaD012509EFO:0000691sarcoma1ClinicalTrials

Clinical Data

ClinicalTrials.gov ALTRETAMINE
The Cochrane Collaboration ALTRETAMINE

Metabolites for CHEMBL1455

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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
210.3 210.1593 0.07 3 48.39 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.81 2.53 2.43 1 15 0.7

Structural Alerts

There are no structural alerts for CHEMBL1455

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XX - Other antineoplastic agents
L01XX03 - altretamine

ChemSpider ChemSpider:UUVWYPNAQBNQJQ-UHFFFAOYSA-N
DailyMed altretamine
PubChem SID: 11110789 SID: 11110790 SID: 144203636 SID: 144209982 SID: 170464714 SID: 174006220 SID: 50103890 SID: 56422107 SID: 78208 SID: 85230922 SID: 855523 SID: 90341558
Wikipedia Altretamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1455



ACToR 645-05-6
BindingDB 37631
ChEBI 24564
DrugBank DB00488
DrugCentral 141
eMolecules 520050
EPA CompTox Dashboard DTXSID4022579
FDA SRS Q8BIH59O7H
Guide to Pharmacology 7112
Human Metabolome Database HMDB0014631
IBM Patent System C8099F93ADBB3B405B061163EFFBA316
LINCS LSM-3492
Mcule MCULE-1605383293
MolPort MolPort-002-111-210
NIH Clinical Collection SAM002564241
Nikkaji J7.067J
NMRShiftDB 20146930
PharmGKB PA164743136
PubChem 2123
PubChem: Drugs of the Future 12013384
PubChem: Thomson Pharma 14748896
Selleck Altretamine
SureChEMBL SCHEMBL4206
ZINC ZINC000000000905

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