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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL283800
CHEMBL283800
Compound Name CREATINE
ChEMBL Synonyms Creatine
Max Phase 0
Trade Names
Molecular Formula C4H9N3O2

Additional synonyms for CHEMBL283800 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CC(=O)O)C(=N)N
Standard InChI InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9 ...
Download InChI
Standard InChI Key CVSVTCORWBXHQV-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL283800. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL283800

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
131.1 131.0695 -1.1 3 90.41 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.43 13.51 -1.26 -3.76 0 9 0.34

Compound Cross References

ChemSpider ChemSpider:CVSVTCORWBXHQV-UHFFFAOYSA-N
Wikipedia Creatine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL283800



ACToR 57-00-1
Atlas creatine
BindingDB 50357229
ChEBI 57947 16919
DrugBank DB00148
eMolecules 494174
FDA SRS MU72812GK0
Guide to Pharmacology 4496
Human Metabolome Database HMDB00064
IBM Patent System 314CCFAA87D0BD6704950C9B1BFE160F 82F4AA3008E6B28CCDCB71AFFE08A4C4
KEGG Ligand C00300
Mcule MCULE-3625061513
MolPort MolPort-001-785-682
Nikkaji J9.321A
PDBe CRN
PharmGKB PA164778930
PubChem 59098743 586
PubChem: Thomson Pharma 15170675
Recon creat
SureChEMBL SCHEMBL21567
ZINC ZINC03861770

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