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Compound Detail

CHEMBL5555324

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OCc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL5555324
Phase Preclinical
Structure Type MOL
InChI Key FIZDBNPUFMDGFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
4.41
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16FNO
MW 293.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.45

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5'-AMP-activated protein kinase catalytic subunit alpha-2
CHEMBL2116
EC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5'-AMP-activated protein kinase catalytic subunit alpha-2 EC50 = 300.0 nM 6.52 Agonist activity at AMPK (unknown origin) 38295689

Literature References

PubMed DOI Target Context # Activities
38295689 10.1016/j.ejmech.2023.116117 5'-AMP-activated protein kinase catalytic subunit alpha-2 1

Data from ChEMBL 36 via Core Engine