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Compound Detail

CHEMBL143181

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CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL143181
Phase Preclinical
Structure Type MOL
InChI Key LJLXQHHFAKVTNP-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.77
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F3NO4S
MW 373.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.05

Activity Summary

IC50 3 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 7.36 6.6733 44.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8917648 10.1021/jm960365n Rattus norvegicus 9
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
8917648 10.1021/jm960365n No relevant target 1
- 10.1016/S0960-894X(97)00111-X Sulfonylurea receptors; K-ATP channels 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine