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Compound Detail

CHEMBL482708

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CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL482708
Phase Preclinical
Structure Type MOL
InChI Key HYNNWLVWJXWXFO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.56
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5
MW 307.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.64

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 8.52 8.52 3.0 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 3.0 nM 8.52 Inhibition of JNK3 18482836
Interleukin-1 receptor-associated kinase 4 IC50 = 400.0 nM 6.4 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 10 1

Data from ChEMBL 36 via Core Engine