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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65567
CHEMBL65567
Compound Name CREATININE
ChEMBL Synonyms CREATININE
Max Phase 3
Trade Names
Molecular Formula C4H7N3O

Additional synonyms for CHEMBL65567 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC(=O)N=C1N
Standard InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
Standard InChI Key DDRJAANPRJIHGJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL65567

Molecule Features

CHEMBL65567 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 CREATININE
The Cochrane Collaboration CREATININE

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
113.1 113.0589 -0.9 0 58.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.89 -.8 -.92 0 8 0.44

Structural Alerts

There are no structural alerts for CHEMBL65567

Compound Cross References

ChemSpider ChemSpider:DDRJAANPRJIHGJ-UHFFFAOYSA-N
PubChem SID: 144205069 SID: 170466777 SID: 26749779 SID: 50085985
Wikipedia Creatinine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65567



ACToR 15231-31-9 60-27-5
Brenda 2015
ChEBI 16737
DrugBank DB11846
eMolecules 494216 1937952
EPA CompTox Dashboard DTXSID8045987
FDA SRS AYI8EX34EU
Human Metabolome Database HMDB0000562
IBM Patent System 59D5F3F7360DE7CA6F17294343C367D3 7CF807D999B603E1BB14714D4252F352
KEGG Ligand C00791
Mcule MCULE-8832153777
Metabolights MTBLC16737
MolPort MolPort-003-803-357 MolPort-001-779-735
Nikkaji J1.397H
NMRShiftDB 10016981
PubChem 588
PubChem: Thomson Pharma 15146458 16190123
Recon crtn
Rhea 16737
Selleck creatinine
SureChEMBL SCHEMBL16295
ZINC ZINC000000967189

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