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Compound Detail

CHEMBL5431622

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O=C(NCCCn1ncc2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431622
Phase Preclinical
Structure Type MOL
InChI Key MTAHPTYVJAISNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
2.71
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N7O2
MW 449.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.06

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