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Compound Detail

CHEMBL482522

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c1cc(NC2CCNCC2)nc(-c2cncc3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL482522
Phase Preclinical
Structure Type MOL
InChI Key HESOFZNOYUEAKZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.46
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4
MW 304.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 5.71 5.71 1934.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 1934.0 nM 5.71 Inhibition of IRAK4 18482836

Literature References

PubMed DOI Target Context # Activities
18482836 10.1016/j.bmcl.2008.04.039 Interleukin-1 receptor-associated kinase 4 1
18482836 10.1016/j.bmcl.2008.04.039 Mitogen-activated protein kinase 8 1
18482836 10.1016/j.bmcl.2008.04.039 Mitogen-activated protein kinase 9 1

Data from ChEMBL 36 via Core Engine