Compound Detail
CHEMBL168155
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Basic Information
| ChEMBL ID | CHEMBL168155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUSUOTUADHEISB-IERUDJENSA-M |
| Parent Compound | CHEMBL1181362 |
| Active Moiety | CHEMBL1181362 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.5
MW (Da)
5.88
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Choline O-acetyltransferase CHEMBL4039 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Choline O-acetyltransferase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of choline acetyltransferase (CAT) enzyme | 3351860 |
| Acetylcholinesterase | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory activity against acetylcholinetransferase (AChE) enzyme | 3351860 |
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