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Compound Detail

CHEMBL138988

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COc1cc([N+](C)(C)C)ccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138988
Phase Preclinical
Structure Type MOL
InChI Key YZUJXHKXTUOUQE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

180.3
MW (Da)
2.20
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.63
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 C11H18NO+
MW 180.27
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.13

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8978837 10.1021/jm950771r Acetylcholinesterase 1
9435905 10.1021/jm970488n Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine