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Compound Detail

CHEMBL5428150

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COc1ccccc1Nc1nccc(-c2cc3c(c(OC)c2)C(=O)N(CC(F)(F)F)CC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5428150
Phase Preclinical
Structure Type MOL
InChI Key BLKWRIPLUIFDRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
4.47
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F3N4O3
MW 458.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase SIK2
CHEMBL5699
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase SIK2 IC50 = 150.0 nM 6.82 Inhibition of SIK2 (unknown origin) using AMARA as substrate buffer incubated fo... 37467565

Literature References

PubMed DOI Target Context # Activities
37467565 10.1016/j.bmc.2023.117414 Serine/threonine-protein kinase SIK2 1

Data from ChEMBL 36 via Core Engine