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Compound Detail

CHEMBL410667

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CCCCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL410667
Phase Preclinical
Structure Type MOL
InChI Key JLJRXOZNFCRZST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.40
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O
MW 400.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18359226 10.1016/j.bmcl.2008.03.019 Mitogen-activated protein kinase 14 1
18359226 10.1016/j.bmcl.2008.03.019 PBMC 1

Data from ChEMBL 36 via Core Engine