Compound Detail
CHEMBL76659
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Basic Information
| ChEMBL ID | CHEMBL76659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVRKCZPRKBNFHA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.8
MW (Da)
8.19
ALogP
5
HBA
3
HBD
70.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 6.36 | 6.36 | 434.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 112.0 | nM | 6.95 | Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate ... | 10476864 |
| Butyrylcholinesterase | IC50 | = | 434.0 | nM | 6.36 | Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE... | 10476864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10476864 | 10.1016/s0960-894x(99)00396-0 | Acetylcholinesterase | 1 |
| 10476864 | 10.1016/s0960-894x(99)00396-0 | Butyrylcholinesterase | 1 |
| 10476864 | 10.1016/s0960-894x(99)00396-0 | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | 1 |
Data from ChEMBL 36 via Core Engine