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Compound Detail

CHEMBL140694

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Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)C(C)(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140694
Phase Preclinical
Structure Type MOL
InChI Key PZGHXVWHEWKTBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
3.48
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.83
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 C18H16F3NO3
MW 351.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sulfonylurea receptors; K-ATP channels
CHEMBL2095152
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sulfonylurea receptors; K-ATP channels IC50 = 5000.0 nM 5.3 IC50 evaluated by measuring contraction and relaxation of guinea pig bladder str... 8917648

Literature References

PubMed DOI Target Context # Activities
8917648 10.1021/jm960365n Rattus norvegicus 8
8917648 10.1021/jm960365n Sulfonylurea receptors; K-ATP channels 1
8917648 10.1021/jm960365n Cavia porcellus 1

Data from ChEMBL 36 via Core Engine