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Compound Detail

CHEMBL343195

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C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL343195
Phase Preclinical
Structure Type MOL
InChI Key GNVWYNKNTYVESS-AWEZNQCLSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.3
MW (Da)
2.17
ALogP
5
HBA
2
HBD
96.4
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 C15H13F3N2O4S
MW 374.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.04

Activity Summary

IC50 3 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
IC50 5.8 5.8 1600.0 1
Cavia porcellus
CHEMBL369
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80750-2 Cavia porcellus 3
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 1

Data from ChEMBL 36 via Core Engine