Compound Detail
CHEMBL75110
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Basic Information
| ChEMBL ID | CHEMBL75110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTDPVOSMBHIAJV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
4.53
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.7 | 7.49 | 20.0 | 2 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 20.0 | nM | 7.7 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
| Acetylcholinesterase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
| Acetylcholinesterase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 52.48 | nM | 7.28 | Inhibition of human acetylcholinesterase | 21074294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057278 | 10.1021/jm00041a007 | Rattus norvegicus | 6 |
| 7932538 | 10.1021/jm00045a020 | Acetylcholinesterase | 1 |
| 8057278 | 10.1021/jm00041a007 | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
| 21074294 | 10.1016/j.ejmech.2010.10.009 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine