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Compound Detail

CHEMBL141999

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Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCOCC3)c3cccnc23)cc1

Basic Information

ChEMBL ID CHEMBL141999
Phase Preclinical
Structure Type MOL
InChI Key POSGPOILCJXRFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.24
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23FN4O
MW 402.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.73 6.73 185.0 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
29706527 10.1016/j.bmc.2018.04.047 Unchecked 1

Data from ChEMBL 36 via Core Engine