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Compound Detail

CHEMBL5941528

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Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL5941528
Phase Preclinical
Structure Type MOL
InChI Key QIFJOFNVIVQRNJ-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
5.08
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F2N3
MW 333.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.28

Activity Summary

IC50 5 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.7 7.7 20.0 1
Casein kinase I isoform delta
CHEMBL2828
IC50 7.5 7.5 32.0 2
Casein kinase I isoform epsilon
CHEMBL4937
IC50 7.5 7.5 32.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine