Compound Detail
CHEMBL143812
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Basic Information
| ChEMBL ID | CHEMBL143812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTPHSDHUHXUYFE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
4.86
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.89 | 8.725 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.3236 | nM | 9.49 | Inhibitory activity against human erythrocyte acetylcholinesterase | 15317459 |
| Acetylcholinesterase | IC50 | = | 1.288 | nM | 8.89 | In vitro inhibitory activity against bovine acetylcholinesterase | 15317459 |
| Acetylcholinesterase | IC50 | = | 2.77 | nM | 8.56 | Inhibition of bovine erythrocyte AChE | 17154513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317459 | 10.1021/jm049877p | Acetylcholinesterase | 2 |
| 17154513 | 10.1021/jm060945c | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine