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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL450298
CHEMBL450298
Compound Name GLUFOSINATE
ChEMBL Synonyms DL-Phosphinothricin
Max Phase 0
Trade Names
Molecular Formula C5H12NO4P

Additional synonyms for CHEMBL450298 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CP(=O)(O)CCC(N)C(=O)O
Standard InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3, ...
Download InChI
Standard InChI Key IAJOBQBIJHVGMQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL450298

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
181.1 181.0504 -4.02 4 110.43 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.22 9.71 -1.85 -5.35 0 11 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL450298. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IAJOBQBIJHVGMQ-UHFFFAOYSA-N
Wikipedia Glufosinate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL450298



ACToR 126633-48-5 51276-47-2 53369-07-6
Brenda 71999
ChEBI 52136
eMolecules 36554096
EPA CompTox Dashboard DTXSID0043973
IBM Patent System D3474FFE5E89C46241CD780810191EDA
KEGG Ligand C05042
MolPort MolPort-003-991-074
Nikkaji J8.581B
PubChem 5257280 4794 5257279
PubChem: Thomson Pharma 15265602
SureChEMBL SCHEMBL17697

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