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Compound Detail

CHEMBL256942

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Clc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1Cl

Basic Information

ChEMBL ID CHEMBL256942
Phase Preclinical
Structure Type MOL
InChI Key CMGFJRFIZZFQRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
3.89
ALogP
5
HBA
2
HBD
54.8
PSA (Ų)
0.74
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 C17H17Cl2N5
MW 362.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 6.78 6.78 166.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 166.0 nM 6.78 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