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Compound Detail

CHEMBL483614

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Fc1ccc(-c2occc2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL483614
Phase Preclinical
Structure Type MOL
InChI Key SOYRTOOOBWIXML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
4.15
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.67
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 C15H10FNO
MW 239.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 740.0 nM 6.13 Inhibition of p38alpha MAP kinase 19301816

Literature References

PubMed DOI Target Context # Activities
19301816 10.1021/jm801467h Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine