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Compound Detail

CHEMBL255253

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CN1[C@@H]2CC[C@H]1CC(Nc1cccc(-c3cnc4ccccn34)n1)C2

Basic Information

ChEMBL ID CHEMBL255253
Phase Preclinical
Structure Type MOL
InChI Key UBXLXPIBJXWDHI-MQVJKMGUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.43
ALogP
5
HBA
1
HBD
45.5
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 C20H23N5
MW 333.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.04 6.04 914.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 914.0 nM 6.04 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