Compound Detail
CHEMBL1161717
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Basic Information
| ChEMBL ID | CHEMBL1161717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRSBDJTYDOITNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.7
MW (Da)
4.23
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 158.49 | nM | 6.8 | Inhibitory activity against human erythrocyte acetylcholinesterase | 15317459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317459 | 10.1021/jm049877p | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine