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Compound Detail

CHEMBL203344

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Nc1c(C(=O)c2cccc(-c3ccncc3)c2)cnn1-c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL203344
Phase Preclinical
Structure Type MOL
InChI Key FZARWELZTDACPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.89
ALogP
5
HBA
1
HBD
73.8
PSA (Ų)
0.56
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 C21H15FN4O
MW 358.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 1280.0 nM 5.89 Displacement of [33P] ATP from human recombinant active p38alpha 16509574

Literature References

PubMed DOI Target Context # Activities
16509574 10.1021/jm050736c Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine