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Compound Detail

CHEMBL354866

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COc1ccc2ccccc2c1/C=C/c1cc[n+](C)cc1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354866
Phase Preclinical
Structure Type MOL
InChI Key QOHMEVFUOQHVKZ-BXTVWIJMSA-M
Parent Compound CHEMBL1184542
Active Moiety CHEMBL1184542
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.84
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClNO
MW 311.81
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.05

Activity Summary

IC50 2 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