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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201270
CHEMBL1201270
Compound Name METHENAMINE
ChEMBL Synonyms HEXAMINE MANDELATE | HIPREX | HEXAMETHYLENETETRAMINE | METHENAMINE HIPPURATE | HEXAMINE | METHENAMINE MANDELATE | HEXAMINE HIPPURATE | UROTROPIN | HEXAMETHYLENAMINE | UREX | Mandelamine | HEXYDALINE | URITONE | E239 | METHENAMINE | HEXAMETHYLENAMINE MANDELATE
Max Phase 4 (Approved)
Trade Names HIPREX | URITONE | UREX | UROTROPIN | Mandelamine | METHENAMINE HIPPURATE
Molecular Formula C6H12N4

Additional synonyms for CHEMBL1201270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1N2CN3CN(CN1C3)C2
Standard InChI InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
Standard InChI Key VKYKSIONXSXAKP-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


CHEMBL1201270

Molecule Features

CHEMBL1201270 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed PubMed PubMed

Clinical Data

ClinicalTrials.gov METHENAMINE
The Cochrane Collaboration METHENAMINE

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
140.2 140.1062 0.09 0 12.96 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.28 -.17 -.17 0 10 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL1201270. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XX - Other antibacterials
J01XX05 - methenamine

ChemSpider ChemSpider:VKYKSIONXSXAKP-UHFFFAOYSA-N
DailyMed methenamine hippurate
PubChem SID: 144207004 SID: 144208804 SID: 144210820 SID: 170465468 SID: 57260105
Wikipedia Hexamethylenetetramine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201270



ACToR 100-97-0 24911-88-4
ChEBI 6824
DrugBank DB06799
DrugCentral 3344
eMolecules 483809
EPA CompTox Dashboard DTXSID6020692
FDA SRS J50OIX95QV
Human Metabolome Database HMDB0029598
IBM Patent System 56DE505C4AF20844A309BF1D37C9A26F 8F9018BEE166E072C9BE6F364F32B3FA 2C15A71406636F3B33AA4770D8CF10E9
LINCS LSM-5440
Mcule MCULE-8414341610
MolPort MolPort-001-759-937
Nikkaji J39.765B J1.072.370A
NMRShiftDB 10016149
PubChem 4101
PubChem: Thomson Pharma 14747763
Selleck methenamine-mandelamine
SureChEMBL SCHEMBL33785
ZINC ZINC000086040406

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