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Compound Detail

CHEMBL258024

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Cn1cnc(CNc2cccc(-c3cnc4ccccn34)n2)c1

Basic Information

ChEMBL ID CHEMBL258024
Phase Preclinical
Structure Type MOL
InChI Key ZUDVUCXLGXCDEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.74
ALogP
6
HBA
1
HBD
60.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N6
MW 304.36
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.3 6.3 497.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 497.0 nM 6.3 Inhibition of IRAK4 18501603

Literature References

PubMed DOI Target Context # Activities
18501603 10.1016/j.bmcl.2008.04.042 Interleukin-1 receptor-associated kinase 4 1

Data from ChEMBL 36 via Core Engine