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Compound Detail

CHEMBL167911

DICHLORVOS
🧪 Phase II
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🧪 Phase II
COP(=O)(OC)OC=C(Cl)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167911
Name DICHLORVOS
Phase Phase II
Structure Type MOL
InChI Key OEBRKCOSUFCWJD-UHFFFAOYSA-N

Known Names

Atgard DDVP Dichlorvos Diclorvos NSC-6738 SD 1750 SD-1750
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names

Molecular Properties

221.0
MW (Da)
2.68
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1972

Extended Properties

Molecular Formula C4H7Cl2O4P
MW 220.98
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.08

Activity Summary

IC50 7 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL2046266
 IC50 7.22 6.855 60.1 2
Unchecked
CHEMBL612545
 IC50 6.52 6.15 300.0 2
Acetylcholinesterase
CHEMBL220
 IC50 6.2 5.92 627.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 60.1 nM 7.22 Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... 26386602
Unchecked IC50 = 300.0 nM 6.52 Inhibition of recombinant Anopheles gambiae AChE G119S mutant after 60 mins by E... 26386602
Acetylcholinesterase IC50 = 324.0 nM 6.49 Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... 26386602
Acetylcholinesterase IC50 = 627.0 nM 6.2 Inhibition of recombinant human AChE after 60 mins by Ellman assay 26386602
Unchecked IC50 = 1650.0 nM 5.78 Inhibition of Anopheles gambiae AChE G119S mutant after 10 mins by Ellman assay 26386602
Acetylcholinesterase IC50 = 2310.0 nM 5.64 Inhibition of recombinant human AChE after 10 mins by Ellman assay 26386602

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
26386602 10.1016/j.bmcl.2015.09.019 No relevant target 4
26386602 10.1016/j.bmcl.2015.09.019 Acetylcholinesterase 4
- 10.1016/j.cropro.2007.08.004 ADMET 4
26386602 10.1016/j.bmcl.2015.09.019 Unchecked 3
21728333 10.1021/jf201927t Bemisia tabaci 3
26386602 10.1016/j.bmcl.2015.09.019 Anopheles gambiae 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.1584/jpestics.G08-26 Cheumatopsyche 1
- 10.1584/jpestics.G11-13 Callosobruchus chinensis 1
- 10.1584/jpestics.G10-40 Callosobruchus chinensis 1
- 10.1584/jpestics.G08-26 Daphnia magna 1
- 10.1584/jpestics.G08-26 No relevant target 1
- 10.1016/0960-894X(95)00562-8 Acetylcholinesterase 1
- 10.1584/jpestics.G08-26 Unchecked 1
12236687 10.1021/jf020361t Musca domestica 1
12236687 10.1021/jf020361t Rhyzopertha dominica 1
17178226 10.1016/j.bmc.2006.12.002 Mythimna separata 1
17178226 10.1016/j.bmc.2006.12.002 Nilaparvata lugens 1
- 10.1016/0960-894X(95)00562-8 Lucilia cuprina 1

Data from ChEMBL 36 via Core Engine