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Compound Detail

CHEMBL5266570

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CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)F)ccn1

Basic Information

ChEMBL ID CHEMBL5266570
Phase Preclinical
Structure Type MOL
InChI Key AASZBVWGEDIXLX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.97
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18F2N4O3
MW 364.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.64

Activity Summary

IC50 2 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 8.74 8.74 1.8 1
Microtubule-associated protein tau
CHEMBL1293224
IC50 7.39 7.39 41.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36669575 10.1016/j.bmcl.2023.129143 Glycogen synthase kinase-3 beta 1
36669575 10.1016/j.bmcl.2023.129143 Microtubule-associated protein tau 1

Data from ChEMBL 36 via Core Engine