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Compound Detail

CHEMBL256734

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c1ccc(Nc2cccc(-c3cnc4ccccn34)n2)cc1

Basic Information

ChEMBL ID CHEMBL256734
Phase Preclinical
Structure Type MOL
InChI Key GFTJKXFUAJDGEZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
4.14
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.62
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 C18H14N4
MW 286.34
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 5.94 5.94 1156.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 1156.0 nM 5.94 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