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Compound Detail

CHEMBL140271

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COc1cccc(S(=O)(=O)c2ccc(NC(=O)C(C)(O)C(F)(F)F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140271
Phase Preclinical
Structure Type MOL
InChI Key WSNUQMQZFVEAAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
2.78
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3NO5S
MW 403.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels IC50 = 16000.0 nM 4.8 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