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Compound Detail

CHEMBL167408

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C[N+]1(C)CC=C(/C=C/c2cccc3ccccc23)CC1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167408
Phase Preclinical
Structure Type MOL
InChI Key GAXZTUOVQGANRV-ASTDGNLGSA-M
Parent Compound CHEMBL1181358
Active Moiety CHEMBL1181358
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
4.26
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.71
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 C19H22ClN
MW 299.85
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.24

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3351860 10.1021/jm00399a022 Acetylcholinesterase 2
3351860 10.1021/jm00399a022 Choline O-acetyltransferase 1
3351860 10.1021/jm00399a022 Unchecked 1

Data from ChEMBL 36 via Core Engine