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Compound Detail

CHEMBL488184

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Fc1ccc(-c2nn3c(OC4CCCC4)cccc3c2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL488184
Phase Preclinical
Structure Type MOL
InChI Key MNPBHRLZOFHULS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
5.52
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20FN3O
MW 373.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 170.0 nM 6.77 Inhibition of GST-fused p38alpha expressed in Escherichia coli 18818075

Literature References

PubMed DOI Target Context # Activities
18818075 10.1016/j.bmcl.2008.09.040 ADMET 2
18818075 10.1016/j.bmcl.2008.09.040 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine