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Compound Detail

CHEMBL4762724

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O=c1ccc2ccc(OCCCCCCn3cc(Cn4nc5ccccc5n4)nn3)cc2o1

Basic Information

ChEMBL ID CHEMBL4762724
Phase Preclinical
Structure Type MOL
InChI Key WQLTXMPNLBVXFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
3.82
ALogP
9
HBA
0
HBD
100.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O3
MW 444.50
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
32781220 10.1016/j.bmcl.2020.127477 Acetylcholinesterase 1
32781220 10.1016/j.bmcl.2020.127477 Cholinesterase 1
32781220 10.1016/j.bmcl.2020.127477 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine