Compound Detail
CHEMBL319003
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Basic Information
| ChEMBL ID | CHEMBL319003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTNGBTCZDTVPTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.98
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 24.0 | nM | 7.62 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932538 | 10.1021/jm00045a020 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine