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Compound Detail

CHEMBL4452323

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Cc1ccc(-c2nnn3c2C2c4ccccc4CCN2Cc2ccccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452323
Phase Preclinical
Structure Type MOL
InChI Key GTBXLQHNABFWDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.70
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4
MW 378.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
30956014 10.1016/j.bmcl.2019.04.002 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine