ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL821
CHEMBL821
Compound Name GUANIDINE
ChEMBL Synonyms Guanidine | Guanidine HCl
Max Phase 4 (Approved)
Trade Names Guanidine HCl
Molecular Formula CH5N3

Additional synonyms for CHEMBL821 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)N
Standard InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
Standard InChI Key ZRALSGWEFCBTJO-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Voltage-gated potassium channel blocker Voltage-gated potassium channel DailyMed PubMed

Indications for CHEMBL821

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
HEART FAILURED006333EFO:0000373CONGESTIVE HEART FAILURE3

Molecule Features

CHEMBL821 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 4 structural alerts for CHEMBL821. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL821

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 -0.99 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

Compound Cross References

ChemSpider ChemSpider:ZRALSGWEFCBTJO-UHFFFAOYSA-N
DailyMed guanidine hydrochloride
Wikipedia Guanidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL821



ACToR 113-00-8
BindingDB 50420178
ChEBI 42820
DrugBank DB00536
eMolecules 969343
FDA SRS JU58VJ6Y3B
Guide to Pharmacology 4783
Human Metabolome Database HMDB01842
Mcule MCULE-1152750770
Nikkaji J2.462G
PDBe GAI
PharmGKB PA164781028
PubChem 3520
PubChem: Thomson Pharma 14940403
SureChEMBL SCHEMBL2003

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