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Compound Detail

CHEMBL344955

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Fc1ccc(-c2c(-c3ccncc3)[nH]c3cccnc23)cc1

Basic Information

ChEMBL ID CHEMBL344955
Phase Preclinical
Structure Type MOL
InChI Key DPGNJQAIOXNWEY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
4.43
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.59
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 C18H12FN3
MW 289.31
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.19 8.19 6.5 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
29706527 10.1016/j.bmc.2018.04.047 Unchecked 1
36538005 10.1021/acs.jmedchem.2c01599 Serine/threonine-protein kinase D1 1

Data from ChEMBL 36 via Core Engine