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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200728
CHEMBL1200728
Compound Name GUANIDINE HYDROCHLORIDE
ChEMBL Synonyms GUANIDINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names GUANIDINE HYDROCHLORIDE
Molecular Formula CH6ClN3

Additional synonyms for CHEMBL1200728 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.NC(=N)N
Standard InChI InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
Standard InChI Key PJJJBBJSCAKJQF-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1200728

Molecule Features

CHEMBL1200728 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
Voltage-gated potassium channel blocker Voltage-gated potassium channel DailyMed PubMed

Clinical Data

ClinicalTrials.gov GUANIDINE HYDROCHLORIDE
The Cochrane Collaboration GUANIDINE HYDROCHLORIDE

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
59.1 59.0483 -1.16 0 75.89 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 3 0 3 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.27 -1.25 -3.25 0 4 0.24

Structural Alerts

There are 4 structural alerts for CHEMBL1200728. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PJJJBBJSCAKJQF-UHFFFAOYSA-N
DailyMed guanidine hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200728



ACToR 50-01-1 106946-18-3
Brenda 47265 5552 129813 1162 1048 3124 220825 2558 58894
ChEBI 32735
ChemicalBook CB6677329
eMolecules 485649
EPA CompTox Dashboard DTXSID7058757
FDA SRS 3YQC9ZY4YB
Mcule MCULE-6036914599
MolPort MolPort-003-927-208
PubChem 5742 22280438 5460839 10855382
PubChem: Thomson Pharma 15170425 15898080 16043934
Selleck guanidine-aminoformamidine-hcl
SureChEMBL SCHEMBL56721

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