ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL225304
CHEMBL225304
Compound Name PIMAGEDINE
ChEMBL Synonyms Aminoguanidine | PIMAGEDINE | Pimagedine | Aminoguanidine Hydrochloride | GER-11 | PIMAGEDINE HYDROCHLORIDE | Aminoguanidine Hemisulfate
Max Phase 0
Trade Names
Molecular Formula CH6N4

Additional synonyms for CHEMBL225304 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NN=C(N)N
Standard InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
Standard InChI Key HAMNKKUPIHEESI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL225304

Molecule Features

CHEMBL225304 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIMAGEDINE
The Cochrane Collaboration PIMAGEDINE

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
74.1 74.0592 -1.87 0 90.42 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.78 -1.24 -3.22 0 5 0.14

Structural Alerts

There are 5 structural alerts for CHEMBL225304. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HAMNKKUPIHEESI-UHFFFAOYSA-N
PubChem SID: 11110767 SID: 11110768 SID: 11113705 SID: 124879244 SID: 50104571 SID: 50104572 SID: 90341334 SID: 90341800
Wikipedia Pimagedine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL225304



ACToR 79-17-4
BindingDB 50207159 86154
Brenda 1553
ChEBI 40618
DrugBank DB05383
eMolecules 972247
EPA CompTox Dashboard DTXSID5040964
FDA SRS SCQ4EZQ113
Guide to Pharmacology 5135
IBM Patent System BA294BBDD8DFF64D1FB32E485F653E6C
LINCS LSM-45273
Mcule MCULE-8251830457
MolPort MolPort-001-781-445
Nikkaji J5.508E
PDBe AGU
PubChem 2146
PubChem: Drugs of the Future 12014685
PubChem: Thomson Pharma 15170355 16447240
SureChEMBL SCHEMBL15307
ZINC ZINC000008034829

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