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Compound Detail

CHEMBL5402129

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CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(-c3ccnc(C#N)c3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402129
Phase Preclinical
Structure Type MOL
InChI Key JTSYUBGYKRTQAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
4.22
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N6O3
MW 452.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.25

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