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Compound Detail

CHEMBL569151

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CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1

Basic Information

ChEMBL ID CHEMBL569151
Phase Preclinical
Structure Type MOL
InChI Key MIZDPIXJCBYSCW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.99
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F2N3O2
MW 433.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

IC50 3 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform delta
CHEMBL4484
IC50 7.05 7.05 90.0 1
Casein kinase I isoform delta
CHEMBL2828
IC50 6.96 6.96 110.0 1
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.81 5.81 1560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19591487 10.1021/jm9005127 Casein kinase I isoform delta 2
19591487 10.1021/jm9005127 Mitogen-activated protein kinase 14 1
19591487 10.1021/jm9005127 Unchecked 1

Data from ChEMBL 36 via Core Engine