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Compound Detail

CHEMBL5411811

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O=C(Nc1ccc(-n2ccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc32)nc1)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411811
Phase Preclinical
Structure Type MOL
InChI Key NPTFRMAWPAQYLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
4.13
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O2
MW 483.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.04

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