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Compound Detail

CHEMBL3120994

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CN(C)c1ccc(-n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)o3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3120994
Phase Preclinical
Structure Type MOL
InChI Key ZNIAGJKAFKTVOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.86
ALogP
7
HBA
0
HBD
72.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19FN6O
MW 426.46
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 4.71 4.71 19500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 19500.0 nM 4.71 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