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Compound Detail

CHEMBL3276428

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OCC[n+]1cccc2ccc3ccccc3c21.[Br-]

Basic Information

ChEMBL ID CHEMBL3276428
Phase Preclinical
Structure Type MOL
InChI Key AXATVANZQJRONH-UHFFFAOYSA-M
Parent Compound CHEMBL3307140
Active Moiety CHEMBL3307140
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.27
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14BrNO
MW 304.19
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.19

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
592327 10.1021/jm00222a016 Acetylcholinesterase 2
592327 10.1021/jm00222a016 Butyrylcholinesterase 2

Data from ChEMBL 36 via Core Engine