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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1537719
CHEMBL1537719
Compound Name PYRAZOPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N3O5PS

Additional synonyms for CHEMBL1537719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C
Standard InChI InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8- ...
Download InChI
Standard InChI Key JOOMJVFZQRQWKR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1537719

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
373.4 373.0861 2.89 8 84.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.81 2.81 2 24 0.52

Structural Alerts

There are 8 structural alerts for CHEMBL1537719. To view alerts please click here.

Compound Cross References

FRAC F - LIPID SYNTHESIS AND MEMBRANE INTEGRITY
F2 - PHOSPHOLIPID BIOSYNTHESIS, METHYLTRANSFERASE
F26 - PHOSPHORO-THIOLATES
F26A - PHOSPHORO-THIOLATES
F26A3 - PYRAZOPHOS
ChemSpider ChemSpider:JOOMJVFZQRQWKR-UHFFFAOYSA-N
PubChem SID: 144211676 SID: 849382

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1537719



ACToR 13457-18-6
ChEBI 81942
eMolecules 510171
EPA CompTox Dashboard DTXSID7042352
FDA SRS BEG0A8I17D
IBM Patent System AA3548719876B69DAAB25D709A02E567
KEGG Ligand C18761
Nikkaji J1.860K
PubChem 26033
PubChem: Thomson Pharma 16550601
SureChEMBL SCHEMBL22029
ZINC ZINC000004866194

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