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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443732
CHEMBL443732
Compound Name CANAVANINE
ChEMBL Synonyms L-Canavanine Sulfate | L-Canavanine
Max Phase 0
Trade Names
Molecular Formula C5H12N4O3

Additional synonyms for CHEMBL443732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCON=C(N)N)C(=O)O
Standard InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,( ...
Download InChI
Standard InChI Key FSBIGDSBMBYOPN-VKHMYHEASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL443732

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
176.2 176.0909 -2.01 5 136.95 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 7 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.18 9.52 -1.17 -4.2 0 12 0.17

Structural Alerts

There are 9 structural alerts for CHEMBL443732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSBIGDSBMBYOPN-VKHMYHEASA-N
PubChem SID: 11111008 SID: 11113636 SID: 50104536 SID: 50104537 SID: 90341177

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443732



ACToR 543-38-4
BindingDB 50370459 50271982
Brenda 1143
ChEBI 609827 405237
DrugBank DB01833
eMolecules 5851395
EPA CompTox Dashboard DTXSID5045041
FDA SRS 3HZV514J4B
Human Metabolome Database HMDB0002706
IBM Patent System 0A0F2C39904D0CB80ECF2854F0C956BF
KEGG Ligand C00308
LINCS LSM-6602
Mcule MCULE-5682580831
Metabolights MTBLC609827 MTBLC405237
Nikkaji J9.236C
PDBe GGB
PubChem 46224610 439202
PubChem: Thomson Pharma 15321986 26523237
SureChEMBL SCHEMBL151097
ZINC ZINC000003869452

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