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Compound Detail

CHEMBL5425152

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O=C(NCCCN1C(=O)Cc2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425152
Phase Preclinical
Structure Type MOL
InChI Key RICNSMKPFGDVNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
2.25
ALogP
7
HBA
2
HBD
99.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O3
MW 464.57
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
36603506 10.1016/j.ejmech.2022.115034 Serine/threonine-protein kinase TBK1 4

Data from ChEMBL 36 via Core Engine