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Compound Detail

CHEMBL2288407

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CC(C)(c1ccc(C(F)(F)F)nc1)S(C)(=O)=NC#N

Basic Information

ChEMBL ID CHEMBL2288407
Phase Preclinical
Structure Type MOL
InChI Key IBVQNRSDGMYWNV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 291.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

Ki 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.82 7.97 1.5 2

Activity Data Samples

Top measurements by pChEMBL value

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