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Compound Detail

CHEMBL166811

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CCCCCCN1CC=C(/C=C/c2cccc3ccccc23)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166811
Phase Preclinical
Structure Type MOL
InChI Key GJINPESDPOTVOP-IERUDJENSA-N
Parent Compound CHEMBL1181354
Active Moiety CHEMBL1181354
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
6.07
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN
MW 355.95
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.30

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