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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL167911
CHEMBL167911
Compound Name DICHLORVOS
ChEMBL Synonyms DICHLORVOS | ATGARD | DDVP | TASK TABS | EQUIGARD | SD 1750 | EQUIGEL
Max Phase 0
Trade Names
Molecular Formula C4H7Cl2O4P

Additional synonyms for CHEMBL167911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COP(=O)(OC)OC=C(Cl)Cl
Standard InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
Standard InChI Key OEBRKCOSUFCWJD-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL167911

Molecule Features

CHEMBL167911 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DICHLORVOS
The Cochrane Collaboration DICHLORVOS

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL167911. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4091 1-deoxyxylulose-5-phosphate reductoisomerase Escherichia coli K-12 0.258

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
221 219.9459 2.68 4 44.76 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.07 1.07 0 11 0.54

Structural Alerts

There are 7 structural alerts for CHEMBL167911. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B15 - DICHLORVOS
ChemSpider ChemSpider:OEBRKCOSUFCWJD-UHFFFAOYSA-N
PubChem SID: 144204603 SID: 144208815 SID: 144211157 SID: 170466226 SID: 17389058 SID: 17389925 SID: 26752865 SID: 26752866
Wikipedia Dichlorvos

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL167911



ACToR 11095-17-3 62-73-7
BindingDB 50286926
Brenda 165896 1678 130092 117555 94512 17853
ChEBI 34690
eMolecules 502039
EPA CompTox Dashboard DTXSID5020449
FDA SRS 7U370BPS14
Human Metabolome Database HMDB0033956
IBM Patent System A94E195B25184B7ED12C835B3E743C53
KEGG Ligand C14430
Mcule MCULE-3173230917
MolPort MolPort-003-665-436
Nikkaji J2.352C
NMRShiftDB 20200878
PubChem 3039
PubChem: Thomson Pharma 15464022
SureChEMBL SCHEMBL25067
ZINC ZINC000001853865

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