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Compound Detail

CHEMBL4754009

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O=c1ccc2ccc(OCCCCCCn3cc(COn4nnc5ccccc54)nn3)cc2o1

Basic Information

ChEMBL ID CHEMBL4754009
Phase Preclinical
Structure Type MOL
InChI Key PHSRFYJHJLGCBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.40
ALogP
10
HBA
0
HBD
110.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O4
MW 460.49
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.06

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