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Compound Detail

CHEMBL2316472

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O=C(NCCF)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2

Basic Information

ChEMBL ID CHEMBL2316472
Phase Preclinical
Structure Type MOL
InChI Key RYPDNLGQTYGITD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
4.74
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.62
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 C24H19F3N2O2
MW 424.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.7 7.89 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23270382 10.1021/jm301539x Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine