Compound Detail
CHEMBL79874
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Basic Information
| ChEMBL ID | CHEMBL79874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOFZQPREDCMUON-SVVPGJMFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.14
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | Ki | 8.11 | 7.795 | 7.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 7.7 | nM | 8.11 | Binding affinity towards Acetylcholinesterase from fetal bovine serum | 11078202 |
| Acetylcholinesterase | Ki | = | 16.7 | nM | 7.78 | Dissociation constant for the inhibition of fetal bovine serum acetylcholinester... | - |
| Acetylcholinesterase | Ki | = | 16.7 | nM | 7.78 | Binding affinity towards Acetylcholinesterase from fetal bovine serum | 11078202 |
| Acetylcholinesterase | Ki | = | 30.9 | nM | 7.51 | Binding affinity towards Acetylcholinesterase from fetal bovine serum | 11078202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00012-1 | Acetylcholinesterase | 3 |
| 11078202 | 10.1016/s0960-894x(00)00494-7 | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine