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Compound Detail

CHEMBL1896251

THIAMETHOXAM
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CN1COCN(Cc2cnc(Cl)s2)/C1=N\[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1896251
Name THIAMETHOXAM
Phase Preclinical
Structure Type MOL
InChI Key NWWZPOKUUAIXIW-FLIBITNWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

291.7
MW (Da)
1.02
ALogP
5
HBA
0
HBD
84.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H10ClN5O3S
MW 291.72
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.48

Activity Summary

Ki 2 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.32 5.93 481.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19937914 10.1002/ps.1877 Bemisia tabaci 24
20632380 10.1002/ps.1989 Bemisia tabaci 22
22847768 10.1002/ps.3372 Frankliniella occidentalis 14
22927256 10.1002/ps.3382 Lissorhoptrus oryzophilus 13
21714058 10.1002/ps.2207 Aphis gossypii 10
19206104 10.1002/ps.1721 Galendromus occidentalis 10
21077123 10.1002/ps.2056 Bemisia tabaci 9
22933384 10.1002/ps.3387 Lygaeidae 7
22290809 10.1002/ps.2285 Popillia japonica 6
- 10.1584/jpestics.D11-055 Clonostachys rosea 6
21800409 10.1002/ps.2242 Drosophila suzukii 5
19562662 10.1002/ps.1808 Bemisia tabaci 5
22933384 10.1002/ps.3387 Urochloa mutica 4
- 10.1016/j.cropro.2007.08.004 ADMET 3
21093112 10.1016/j.ejmech.2010.09.047 Aphis medicaginis 3
- 10.1016/j.cropro.2011.12.007 Trichogramma nubilale 3
21728333 10.1021/jf201927t Bemisia tabaci 3
23112103 10.1002/ps.3413 Unchecked 3
19742452 10.1002/ps.1835 Anomala orientalis 3
19742452 10.1002/ps.1835 Maladera castanea 3

Data from ChEMBL 36 via Core Engine