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Compound Detail

CHEMBL485324

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CN(c1nccc(-c2cnc3ccccn23)n1)C1CCNCC1

Basic Information

ChEMBL ID CHEMBL485324
Phase Preclinical
Structure Type MOL
InChI Key UWOKGOQORAHTBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
1.98
ALogP
6
HBA
1
HBD
58.4
PSA (Ų)
0.80
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 C17H20N6
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 200.0 nM 6.7 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