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Compound Detail

CHEMBL168468

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COc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168468
Phase Preclinical
Structure Type MOL
InChI Key JFOORPOWIAVINU-FXRZFVDSSA-M
Parent Compound CHEMBL1181369
Active Moiety CHEMBL1181369
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.70
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18ClNO2
MW 291.78
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.19

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