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Compound Detail

CHEMBL141285

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CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cnccn2)cc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141285
Phase Preclinical
Structure Type MOL
InChI Key MCAJQCKVQVTKOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.3
MW (Da)
1.56
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.84
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 C14H12F3N3O4S
MW 375.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels IC50 = 12000.0 nM 4.92 IC50 evaluated by measuring contraction and relaxation of guinea pig bladder str... 8917648

Literature References

PubMed DOI Target Context # Activities
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 1

Data from ChEMBL 36 via Core Engine