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Compound Detail

CHEMBL5403014

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O=C(C1CCC1)N1CCC(n2ccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403014
Phase Preclinical
Structure Type MOL
InChI Key OEXSXECHBAJBFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
3.58
ALogP
7
HBA
1
HBD
75.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O2
MW 460.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.70

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