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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
BindinDB 50357229
ChEBI 57947 16919
DrugBank DB00148
eMolecules 494174
FDA SRS MU72812GK0
Guide to Pharmacology 4496
Human Metabolome Database HMDB00064
IBM Patent System 314CCFAA87D0BD6704950C9B1BFE160F 82F4AA3008E6B28CCDCB71AFFE08A4C4
IBM Patents EP2072528A1 WO1999058646A1 WO2000078921A2 US20020192788 WO2005039582A1 EP0125928A2 WO2003023003A2 WO2010144553A2 EP1045898A2 EP0351117B1 EP0767191A2 EP1151143A1 EP1766091A2 WO2008102380A1 WO2001087934A2 WO2009076266A1 US20030148537 WO2008021388A1 US4898735 US20060068021 US20090014328 US20070042954 WO2007031867A2 US7425330 EP1604317A2 WO2001019376A2 WO2009043437A2 US20080248565 EP0364926B1 EP1866422A2 WO2009046876A2 WO1998053319A2 US6352847 US5063153 US20030209432 US5690103 EP0500099A1 WO1999004238A2 US20100034806 US20040053392 US6268339 WO2005046662A2 US20040072288 WO1999067426A1 EP1778205B1 US6379668 US20080213745 EP0324993A1 WO1994001539A1 US20070133852 WO2002079389A2 EP2241352A2 US20040018491 EP0298473A2 US20030180928 WO2007115364A1 US20090208998 WO1998002150A1 WO1998048842A1 US20100285981 WO2007038802A2 EP1005376B1 EP1248609A1 US20090253781 EP1210102A2 EP1088592B1 US20090252755 WO2000040606A2 US20080045104 EP1901816A1 US20070009517 US4663309 EP1707058A9 WO2004011060A2 US6946241 US20050025737 EP1853159A1 US6610683 EP1797947A2 WO2004045564A1 WO2001018189A2 WO2006034586A1 US7552071 US20060063264 EP1285579B1 US20070113796 US7514227 EP1029547A1 US20050256165 US20100203633 EP2015744A2 WO2007066179A2 US20070099264 WO2008137775A2 US5986076 WO1999003962A1 US7659091 EP2041178A2 WO2009103755A1 US20100217555
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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