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Compound Detail

CHEMBL356355

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OCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21

Basic Information

ChEMBL ID CHEMBL356355
Phase Preclinical
Structure Type MOL
InChI Key XSXJOLWAPKFGRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.90
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.62
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 C20H16FN3O
MW 333.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.76 6.76 172.0 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 1
29706527 10.1016/j.bmc.2018.04.047 Unchecked 1

Data from ChEMBL 36 via Core Engine