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Compound Detail

CHEMBL5423322

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CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(CN)CC3)cc2O1

Basic Information

ChEMBL ID CHEMBL5423322
Phase Preclinical
Structure Type MOL
InChI Key WXELIPGDBYHORJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.46
ALogP
8
HBA
3
HBD
132.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O3
MW 462.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37163947 10.1016/j.ejmech.2023.115453 Interleukin-1 receptor-associated kinase 4 1

Data from ChEMBL 36 via Core Engine