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Compound Detail

CHEMBL5431220

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O=C(NCCCn1cc(Cl)c2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431220
Phase Preclinical
Structure Type MOL
InChI Key HPLCJPWBMNNNHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
3.97
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31ClN6O2
MW 483.02
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.89

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