Compound Detail
CHEMBL136916
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Basic Information
| ChEMBL ID | CHEMBL136916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKCYTFTWLWVZSO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
144.2
MW (Da)
1.06
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3198 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.07 | 4.07 | 84722.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 23000.0 | nM | 4.64 | Inhibition of mouse AChE | 18479118 |
| Acetylcholinesterase | IC50 | = | 84722.74 | nM | 4.07 | Inhibition acetylcholinesterase (AChE) enzyme. | 9435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435905 | 10.1021/jm970488n | Acetylcholinesterase | 1 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine