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Compound Detail

CHEMBL5556245

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Cc1cc(-n2cc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)OCC3=O)cn2)ncc1C#N

Basic Information

ChEMBL ID CHEMBL5556245
Phase Preclinical
Structure Type MOL
InChI Key LOFUMCJUAHZTJC-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
2.53
ALogP
8
HBA
0
HBD
110.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5O4
MW 443.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 1
CHEMBL1293292
IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38807539 10.1021/acs.jmedchem.4c00893 ATP-sensitive inward rectifier potassium channel 1 1

Data from ChEMBL 36 via Core Engine