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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 DIAZINON | DIMPYLATE | G-24480
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

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL388560

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

ClinicalTrials.gov DIMPYLATE
The Cochrane Collaboration DIMPYLATE

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 0.697

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.873

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

Structural Alerts

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

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: 170466153 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
BindingDB 50005409
ChEBI 34682
eMolecules 509708 26753541
EPA CompTox Dashboard DTXSID9020407
FDA SRS YUS1M1Q929
Human Metabolome Database HMDB0032943
IBM Patent System 15CE3A5CA2447C9D30A3EDFB88414411
KEGG Ligand C14324
Nikkaji J3.278F
NMRShiftDB 20207919
PubChem 3017
PubChem: Thomson Pharma 15419751
SureChEMBL SCHEMBL17453
ZINC ZINC000000001309

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