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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200468
CHEMBL1200468
Compound Name MALATHION
ChEMBL Synonyms Prioderm | Ovide | Malathion | Organoderm | Cythion
Max Phase 4 (Approved)
Trade Names Ovide | Cythion | Prioderm | Malathion | Organoderm
Molecular Formula C10H19O6PS2

Additional synonyms for CHEMBL1200468 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
Standard InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18, ...
Download InChI
Standard InChI Key JXSJBGJIGXNWCI-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Acetylcholinesterase inhibitor Acetylcholinesterase DailyMed

Molecule Features

CHEMBL1200468 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 9 structural alerts for CHEMBL1200468. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1200468

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 CHEMBL1200468. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4106 Cathepsin D Bos taurus 1.000
CHEMBL3691 Autotaxin Homo sapiens 0.991
CHEMBL2676 Endothelin-converting enzyme 1 Rattus norvegicus 0.947
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.924
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.893
CHEMBL2714 Pepsin A Sus scrofa 0.869
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.805
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.698
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.528
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.526
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.432
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.324
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.268
CHEMBL5514 Huntingtin Homo sapiens 0.260
CHEMBL2392 DNA polymerase beta Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4106 Cathepsin D Bos taurus 0.998
CHEMBL3691 Autotaxin Homo sapiens 0.969
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.652
CHEMBL2714 Pepsin A Sus scrofa 0.582
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.579
CHEMBL4123 Neurotensin receptor 1 Homo sapiens 0.493
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.417
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.406
CHEMBL2676 Endothelin-converting enzyme 1 Rattus norvegicus 0.360
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.341

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
330.4 330.0361 1.79 11 138.26 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.38 2.38 0 19 0.41

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P03 - ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03A - ECTOPARASITICIDES, INCL. SCABICIDES
P03AX - Other ectoparasiticides, incl. scabicides
P03AX03 - malathion

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B33 - MALATHION
ChemSpider ChemSpider:JXSJBGJIGXNWCI-UHFFFAOYSA-N
DailyMed malathion
PubChem SID: 144214009 SID: 170465311 SID: 17389839 SID: 26753130 SID: 26753131 SID: 50105655
Wikipedia Malathion

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200468



ACToR 121-75-5 11096-67-6
Atlas Malathion
BindinDB 85372
ChEBI 6651
DrugBank DB00772
eMolecules 500877
Human Metabolome Database HMDB14910
IBM Patent System 473B0AC7B3F119B39018356C57D89AEF
IBM Patents WO2000066565A1 WO2008140973A1 US20080221109 WO2009152261A1 US4434165 WO2009058673A1 WO2008009361A2 US7597753 US20060078604 US7361653 US20100298391 EP0835056A2 US4272417 US20090298828 WO2007026972A2 US20040242664 US7820189 US7494663 US5562820 US20100190645 EP2266403A2 EP0727939B1 WO2002030201A2 EP1313704A2 EP1888533A1 US20100028295 US20080199858 EP1715743A1 WO2006127322A2 EP0981955B1 US6887362 WO2000071536A1 US20090082203 EP0675681B1 US20040242699 US5767137 WO2008121446A9 US5505940 US3219522 WO2005030172A1 WO2010141141A2 EP0837870A1 WO2006092213A1 EP1989162A1 US20060089499 EP1018885B1 US20020119207 WO2010049405A1 WO2001096009A2 WO2005009131A1 EP1954138A2 US6710045 US20090118286 WO2004046129A2 US20080292560 WO1993021161A1 EP1961302A1 WO2005044791A2 EP1954127A2 US5089623 US20040127525 US20050182120 US20080182750 US5807830 WO2004047534A2 WO2009075379A1 US6066646 EP0970057B1 WO2007115643A1 EP0582065A1 EP2255626A1 US20070021303 WO2004067527A1 US20060078585 EP2193124A1 US20080274893 EP0730583B1 US20080242174 US20050130913 US4237056 US6387922 US6593299 WO2007036710A2 WO1998017733A1 US20050124498 US4011213 US20100254959 WO2002008734A2 EP1439893A2 US6329319 WO2005095461A2 WO2006076024A2 EP1096855B1 EP0726767A1 EP1534701A1 US20070071784 WO2010049414A1 US7026341 EP2136644A2 US4742056
KEGG Ligand C07497
Nikkaji J381F
NMRShiftDB 20209207
PubChem 4004
PubChem: Thomson Pharma 14895285
SureChEMBL SCHEMBL27358

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