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Compound Detail

CHEMBL358718

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Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCCCC3)c3cccnc23)cc1

Basic Information

ChEMBL ID CHEMBL358718
Phase Preclinical
Structure Type MOL
InChI Key IAYFZPCPRAMGGV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.39
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN4
MW 400.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.71 5.71 1970.0 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 2

Data from ChEMBL 36 via Core Engine