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Compound Detail

CHEMBL240767

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Cc1cccc(C(=O)NC(N/C(=N/C#N)Nc2ccc(C(F)(F)F)nc2)C(C)(Cl)Cl)c1

Basic Information

ChEMBL ID CHEMBL240767
Phase Preclinical
Structure Type MOL
InChI Key REVUUXVVHSKXSP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.3
MW (Da)
4.20
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.20
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 C19H17Cl2F3N6O
MW 473.29
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.69

Activity Summary

EC50 2 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.94 5.94 1148.2 1
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 5.59 5.59 2570.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17973362 10.1021/jm7010194 ATP-sensitive inward rectifier potassium channel 11 1
17973362 10.1021/jm7010194 Unchecked 1

Data from ChEMBL 36 via Core Engine