Compound Detail
CHEMBL428683
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Basic Information
| ChEMBL ID | CHEMBL428683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLYANHIUMJTDGR-RRABGKBLSA-M |
| Parent Compound | CHEMBL1185702 |
| Active Moiety | CHEMBL1185702 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.89
ALogP
1
HBA
0
HBD
20.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Choline O-acetyltransferase CHEMBL3945 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Choline O-acetyltransferase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of choline acetyltransferase (ChAT) activity | 3336013 |
| Acetylcholinesterase | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of acetylcholinesterase (AChE) activity | 3336013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336013 | 10.1021/jm00396a017 | Choline O-acetyltransferase | 1 |
| 3336013 | 10.1021/jm00396a017 | Acetylcholinesterase | 1 |
| 3336013 | 10.1021/jm00396a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine