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Compound Detail

CHEMBL5426526

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O=C(NCCCn1cc(C2CC2)c2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5426526
Phase Preclinical
Structure Type MOL
InChI Key RXISINCCURVOAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
4.19
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N6O2
MW 488.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.67

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