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Compound Detail

CHEMBL343481

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O=C(O)Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21

Basic Information

ChEMBL ID CHEMBL343481
Phase Preclinical
Structure Type MOL
InChI Key FNHBRWRBSUNZEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.99
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14FN3O2
MW 347.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 4.63 4.63 23600.0 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