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Compound Detail

CHEMBL5400015

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N#Cc1cn(CCCNC(=O)C2CCC2)c2nc(Nc3cccc(CN4CCOCC4)c3)ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400015
Phase Preclinical
Structure Type MOL
InChI Key BALZHVYQESDVRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
3.19
ALogP
8
HBA
2
HBD
108.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N7O2
MW 473.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.01

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