Compound Detail
CHEMBL235288
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Basic Information
| ChEMBL ID | CHEMBL235288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFFZGYRTVIPBFN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
146.1
MW (Da)
0.99
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 5.58 | 5.58 | 2630.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | Ki | 5.28 | 5.28 | 5240.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.26 | 5.26 | 5470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 2630.0 | nM | 5.58 | Inhibition of human butyrylcholinesterase | 17941623 |
| Liver carboxylesterase 1 | Ki | = | 5240.0 | nM | 5.28 | Inhibition of human carboxylesterase 1 | 17941623 |
| Unchecked | Ki | = | 5470.0 | nM | 5.26 | Inhibition of human intestinal carboxylesterase | 17941623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17941623 | 10.1021/jm0706867 | Acetylcholinesterase | 1 |
| 17941623 | 10.1021/jm0706867 | Cholinesterase | 1 |
| 17941623 | 10.1021/jm0706867 | Unchecked | 1 |
| 17941623 | 10.1021/jm0706867 | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine