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Compound Detail

CHEMBL304227

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CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CC(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304227
Phase Preclinical
Structure Type MOL
InChI Key JGBWDBZICISBDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.2
MW (Da)
5.69
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17Cl2F3N4O
MW 409.24
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.29

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.06 7.06 87.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 87.0 nM 7.06 Inhibition of mitogen-activated protein kinase p38 alpha 2 10999468

Literature References

PubMed DOI Target Context # Activities
10999468 10.1016/s0960-894x(00)00272-9 Mitogen-activated protein kinase 14 2
10999468 10.1016/s0960-894x(00)00272-9 SW1353 1

Data from ChEMBL 36 via Core Engine