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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL167150
CHEMBL167150
Compound Name TRICHLORFON
ChEMBL Synonyms DETF | Metrifonate | Trichlorfon | BAYER-L-1359 | Metriphonate
Max Phase 0
Trade Names
Molecular Formula C4H8Cl3O4P

Additional synonyms for CHEMBL167150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COP(=O)(OC)C(O)C(Cl)(Cl)Cl
Standard InChI InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
Standard InChI Key NFACJZMKEDPNKN-UHFFFAOYSA-N

Molecule Features

CHEMBL167150 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 CHEMBL167150. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL167150

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 CHEMBL167150. 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
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.810
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.777
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.322

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL243 Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.634
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.543

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
257.4 255.9226 0.75 4 65.57 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.3 - .49 .49 0 12 0.6

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02B - ANTITREMATODALS
P02BB - Organophosphorous compounds
P02BB01 - metrifonate

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B64 - TRICHLORFON
ChemSpider ChemSpider:NFACJZMKEDPNKN-UHFFFAOYSA-N
PubChem SID: 104171375 SID: 144204394 SID: 144208805 SID: 144211177 SID: 26752327 SID: 855564

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL167150



ACToR 52-68-6 37333-09-8
BindinDB 50286920
ChEBI 6908
eMolecules 510301
IBM Patent System 32BC445F79AD0C42349861ED8436193C
IBM Patents US6331289 US6068849 US6372760 US20100227875 EP1071409A2 EP1328294A2 WO1993024130A1 US20100285041 EP1221955A2 US20100143505 EP0989125B1 WO2000017654A1 US4146726 US20090093516 EP1937633B1 US20090082388 EP1660431A2 WO2009039460A2 US4069344 US20080119481 WO2008075025A1 EP1996164A2 WO2010114476A1 EP0488236B1 WO1991007972A1 US5540665 US20090304803 US20100221257 EP0252983B1 EP0269874A1 WO2007025694A1 US20060003989 WO2008128987A1 WO2008128982A1 US20080226708 EP0050219A1 US20100324071 EP1392287B1 US20070117747 US20060264435 WO2007039741A1 US20100286734 US20090286835 WO2006135795A1 US20090005321 WO2008085360A2 EP0505895A1 EP2001933A2 US20070191381 EP1928437A2 US20080146566 WO2009055005A2 EP1682532A1 EP2142515A1 EP1541197A1 US3932629 WO2007052023A2 US7622447 WO2008096127A2 US6538031 US20050226902 WO2005033113A2 US20050080260 WO2008075026A1 US6028100 WO2007038670A2 EP1611091A1 EP2155182A2 EP2218022A1 US20080249158 US6124318 EP0567138A3 US7235657 US20100216734 US20100119583 EP1968685A2 US20100120917 US20050288288 WO2009012571A1 EP2142185A2 EP1431299B1 US20020016334 US20070197515 US7576066 US5763495 US20070166765 US20100151250 WO2010054042A2 US7537765 EP0431968B1 US4439440 EP1664037A1 US5006545 EP0023637A1 WO2009053900A1 WO2004002402A2 US6034117 US20050021092 EP1761494B1 WO2006012209A2
KEGG Ligand C07971
LINCS LSM-4995
Mcule MCULE-8125791587
MolPort MolPort-001-797-006
Nikkaji J2.309D
NMRShiftDB 30096993
PubChem 5853
PubChem: Drugs of the Future 12014500
PubChem: Thomson Pharma 14823656
SureChEMBL SCHEMBL15972

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