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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388560
CHEMBL388560
Compound Name DIMPYLATE
ChEMBL Synonyms G-24480 | Diazinon | Dimpylate
Max Phase 0
Trade Names
Molecular Formula C12H21N2O3PS

Additional synonyms for CHEMBL388560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C
Standard InChI InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-1 ...
Download InChI
Standard InChI Key FHIVAFMUCKRCQO-UHFFFAOYSA-N

Molecule Features

CHEMBL388560 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

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 7 structural alerts for CHEMBL388560. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL388560

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 CHEMBL388560. 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
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.753

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.897

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
304.4 304.101 3.14 7 95.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.21 3.77 3.77 1 19 0.72

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B14 - DIAZINON
ChemSpider ChemSpider:FHIVAFMUCKRCQO-UHFFFAOYSA-N
PubChem SID: 144204628 SID: 144208607 SID: 144211047 SID: 17389942 SID: 93576725
Wikipedia Diazinon

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388560



ACToR 333-41-5 27936-40-9
Atlas Diazinon
BindinDB 50005409
ChEBI 34682
eMolecules 509708 26753541
FDA SRS YUS1M1Q929
Human Metabolome Database HMDB32943
IBM Patent System 15CE3A5CA2447C9D30A3EDFB88414411
IBM Patents EP0805805B1 US5229355 US20100297260 EP2081911A2 EP1322608B1 US20090203528 US6787670 US4783458 EP0514776A1 WO2008074418A2 US4394379 US5043163 US20070173539 EP0256407A1 WO2007069777A2 US7781439 US20100105669 EP1976385A2 EP0891330A1 EP0518689A1 US20090093481 US20100043276 EP1296979B1 US20050171097 EP1003714A1 US7371768 EP0828719B1 EP1304325A1 EP1296952B9 US5338533 US5939441 EP2197259A1 EP2252590A1 WO2000074489A1 WO1999043649A1 US20040136915 US20090272292 EP0649649A2 WO2001055139A1 US20100041718 WO2003062226A1 US20090312330 EP1483248A1 WO2010142790A1 US7105524 US6835842 US20100160231 US7632783 US3932629 US20060243323 US20030070347 EP2086325A1 US20040106658 US20050064497 US20060194747 EP0483647A1 EP1413201A2 WO2004024692A1 WO2008155097A2 WO2001040446A1 EP1765072B1 US20080249190 US7375122 EP2103211A1 US6265350 US20090318466 US4925657 EP0582065A1 WO2002050052A1 WO2010126583A1 US7051949 EP1196034A1 US4766132 US20060069253 WO2002028187A1 US6441043 US20050089657 WO2002008197A1 EP0721735A1 US5882480 US5763640 US6978688 US20020115565 EP0370629A1 US20050002865 EP1427285A1 US20050191627 EP0885225A1 WO2008062012A1 EP1389190B1 US7439366 WO2009030686A1 EP0827499A1 EP0256407B1 EP0837870B1 US20080139643 US5075294 EP1889858A1 EP0188887B1 WO2006089747A2
KEGG Ligand C14324
Nikkaji J3.278F
NMRShiftDB 20207919
PubChem 3017
PubChem: Thomson Pharma 15419751
SureChEMBL SCHEMBL17453
ZINC ZINC00001309

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