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Compound Detail

CHEMBL5433709

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COc1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)ccnc2c1

Basic Information

ChEMBL ID CHEMBL5433709
Phase Preclinical
Structure Type MOL
InChI Key PKZJJMAMLYCFBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
6.10
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16F3N3O3
MW 439.39
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cdk-related protein kinase 6
CHEMBL3301558
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36736152 10.1016/j.ejmech.2022.115043 Cdk-related protein kinase 6 2

Data from ChEMBL 36 via Core Engine