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Compound Detail

CHEMBL1194313

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CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194313
Phase Preclinical
Structure Type MOL
InChI Key ARWPWQWERJBZLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
5.06
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClNO3
MW 367.83
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
25016233 10.1016/j.ejmech.2014.07.021 Amyloid-beta precursor protein 1
25016233 10.1016/j.ejmech.2014.07.021 Cholinesterase 1
25016233 10.1016/j.ejmech.2014.07.021 Acetylcholinesterase 1
25016233 10.1016/j.ejmech.2014.07.021 Microtubule-associated protein tau 1

Data from ChEMBL 36 via Core Engine