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Compound Detail

CHEMBL142381

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Fc1ccc(-c2c(-c3ccncc3)[nH]c3cncnc23)cc1

Basic Information

ChEMBL ID CHEMBL142381
Phase Preclinical
Structure Type MOL
InChI Key VTZDALBSCZLACJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.83
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.61
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 C17H11FN4
MW 290.30
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.05 6.05 895.0 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 2

Data from ChEMBL 36 via Core Engine