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Compound Detail

CHEMBL240558

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COc1cnccc1C(=O)NC(N/C(=N/C#N)Nc1ccc(Cl)nc1)C(C)(Cl)Cl

Basic Information

ChEMBL ID CHEMBL240558
Phase Preclinical
Structure Type MOL
InChI Key AESZSGCXHOXOAR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
2.93
ALogP
6
HBA
3
HBD
124.3
PSA (Ų)
0.15
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl3N7O2
MW 456.72
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.49

Activity Summary

EC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 5.18 5.18 6606.9 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

Data from ChEMBL 36 via Core Engine