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Compound Detail

CHEMBL2288413

METHYL SULFOXAFLOR
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[3H]C([3H])([3H])C(C)(c1ccc(C(F)(F)F)nc1)S(C)(=O)=NC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2288413
Name METHYL SULFOXAFLOR
Phase Preclinical
Structure Type MOL
InChI Key IBVQNRSDGMYWNV-RLXJOQACSA-N
Parent Compound CHEMBL2288407
Active Moiety CHEMBL2288407
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
2.91
ALogP
4
HBA
0
HBD
66.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12F3N3OS
MW 297.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

Ki 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.7 8.6 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.2 nM 9.7 Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae 4106A (green peach ... 23112103
Unchecked Ki = 32.0 nM 7.5 Displacement of [3H]IMD from nAChR in Myzus persicae 4106A (green peach aphid) m... 23112103

Literature References

PubMed DOI Target Context # Activities
23112103 10.1002/ps.3413 Unchecked 4

Data from ChEMBL 36 via Core Engine