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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL95764
CHEMBL95764
Compound Name GLYPHOSATE
ChEMBL Synonyms 2-(Phosphonatomethylammonio)Acetate
Max Phase 0
Trade Names
Molecular Formula C3H8NO5P

Additional synonyms for CHEMBL95764 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CNCP(=O)(O)O
Standard InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2 ...
Download InChI
Standard InChI Key XDDAORKBJWWYJS-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL95764

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
169.1 169.014 -1.2 4 106.86 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.81 10.3 .27 -4.12 0 10 0.39

Structural Alerts

There are 3 structural alerts for CHEMBL95764. To view alerts please click here.

Compound Cross References

HRAC G - INHIBITION OF EPSP SYNTHASE
G1 - GLYCINE
G11 - GLYPHOSATE
ChemSpider ChemSpider:XDDAORKBJWWYJS-UHFFFAOYSA-N
PubChem SID: 4253856 SID: 431953
Wikipedia Glyphosate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL95764



ACToR 1071-83-6
BindingDB 50281349
Brenda 1154 10869 36410 788
ChEBI 27744
ChemicalBook CB7680517
eMolecules 498956
EPA CompTox Dashboard DTXSID1024122
FDA SRS 4632WW1X5A
IBM Patent System E1359C0C004DB9C576D6DB26D0E8A242
KEGG Ligand C01705
Mcule MCULE-3308266821
MolPort MolPort-001-793-049
Nikkaji J3.359F
NMRShiftDB 20206207
PDBe GPF
PubChem 3496 59310676
PubChem: Thomson Pharma 15321860
SureChEMBL SCHEMBL16440
ZINC ZINC000003872713

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