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Compound Detail

CHEMBL5423172

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O=C(NCc1cccc(-n2ccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc32)c1)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5423172
Phase Preclinical
Structure Type MOL
InChI Key VBYGRYKGPVSRJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
4.41
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N6O2
MW 496.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.77

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