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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2138242
CHEMBL2138242
Compound Name PROFENOFOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15BrClO3PS

Additional synonyms for CHEMBL2138242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
Standard InChI InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(1 ...
Download InChI
Standard InChI Key QYMMJNLHFKGANY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2138242

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
373.6 371.9351 5.77 7 35.53 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.18 5.18 1 18 0.57

Structural Alerts

There are 9 structural alerts for CHEMBL2138242. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B51 - PROFENOFOS
ChemSpider ChemSpider:QYMMJNLHFKGANY-UHFFFAOYSA-N
PubChem SID: 144211069 SID: 26757716

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2138242



ACToR 81123-19-5 81116-98-5 41198-08-7
Brenda 7528
ChEBI 38845
eMolecules 508646
EPA CompTox Dashboard DTXSID3032464
IBM Patent System A7195DB27C07E1DD858C7B5BE1991548
KEGG Ligand C18404
Nikkaji J15.829A
PubChem 38779
PubChem: Thomson Pharma 15098558
SureChEMBL SCHEMBL25281

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