Compound Detail
CHEMBL154972
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Basic Information
| ChEMBL ID | CHEMBL154972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFWBAKOCTYKRQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.55
ALogP
7
HBA
2
HBD
91.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 73.0 | nM | 7.14 | Inhibition of guinea pig acetylcholinesterase | 8496937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496937 | 10.1021/jm00057a007 | Acetylcholinesterase | 1 |
| 8496937 | 10.1021/jm00057a007 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine