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Compound Detail

CHEMBL59652

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CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2)no1

Basic Information

ChEMBL ID CHEMBL59652
Phase Preclinical
Structure Type MOL
InChI Key UINWPTYDEZSPOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
3.76
ALogP
3
HBA
2
HBD
67.2
PSA (Ų)
0.88
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 C14H16FN3O2
MW 277.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10999467 10.1016/s0960-894x(00)00270-5 Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine