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Compound Detail

CHEMBL139259

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C[N+]1(C)CCO[C@@](O)(c2ccc(N)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139259
Phase Preclinical
Structure Type MOL
InChI Key XPQIRNBONHURTF-GFCCVEGCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
0.52
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N2O2+
MW 223.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.89

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine