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Compound Detail

CHEMBL142753

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OCCCCNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1

Basic Information

ChEMBL ID CHEMBL142753
Phase Preclinical
Structure Type MOL
InChI Key PTCKYFYUZMMXRO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.62
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN4O
MW 376.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.3 8.3 5.0 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