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Compound Detail

CHEMBL184685

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COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)c(Cl)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL184685
Phase Preclinical
Structure Type MOL
InChI Key VTWHCNIUUBRZLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

452.9
MW (Da)
5.44
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18ClFN4O3
MW 452.87
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15454232 10.1016/j.bmcl.2004.08.007 Mitogen-activated protein kinase 14 1
15454232 10.1016/j.bmcl.2004.08.007 Epidermal growth factor receptor 1
15454232 10.1016/j.bmcl.2004.08.007 Homo sapiens 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine