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Compound Detail

CHEMBL5426529

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CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1

Basic Information

ChEMBL ID CHEMBL5426529
Phase Preclinical
Structure Type MOL
InChI Key AIMNCVIDWQOVPW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
2.88
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F3N6O3
MW 490.49
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.82

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
IC50 8.3 8.3 5.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38228402 10.1021/acs.jmedchem.3c01714 Interleukin-1 receptor-associated kinase 4 1

Data from ChEMBL 36 via Core Engine