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Compound Detail

CHEMBL3120973

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C#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)o1

Basic Information

ChEMBL ID CHEMBL3120973
Phase Preclinical
Structure Type MOL
InChI Key VPZCYPYXRFRDLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.52
ALogP
3
HBA
0
HBD
38.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9FN2O
MW 264.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.75 5.75 1790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 1790.0 nM 5.75 Inhibition of p38a MAPK (unknown origin) by radiometric assay 24508134

Literature References

PubMed DOI Target Context # Activities
24508134 10.1016/j.bmcl.2014.01.034 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine