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Compound Detail

CHEMBL2288410

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CC(c1ccc(C(F)(F)F)nc1)S(C)(=O)=NC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2288410
Phase Preclinical
Structure Type MOL
InChI Key YLQFVPNHUKREEW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.34
ALogP
3
HBA
1
HBD
85.4
PSA (Ų)
0.91
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 C10H12F3N3O2S
MW 295.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.10

Activity Summary

Ki 2 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.44 5.235 3600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 3600.0 nM 5.44 Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae 4106A (green peach ... 23112103
Unchecked Ki = 9428.0 nM 5.03 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 2
23112103 10.1002/ps.3413 Myzus persicae 1

Data from ChEMBL 36 via Core Engine