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Compound Detail

CHEMBL358548

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COn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21

Basic Information

ChEMBL ID CHEMBL358548
Phase Preclinical
Structure Type MOL
InChI Key GYWBLVJSGUQPHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.96
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN3O
MW 319.34
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14561090 10.1021/jm0301787 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine