Compound Detail
CHEMBL349977
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Basic Information
| ChEMBL ID | CHEMBL349977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPSRZRXARJYFKS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.7
MW (Da)
3.76
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against acetylcholinesterase in human RBC | - |
| Acetylcholinesterase | IC50 | = | 16400.0 | nM | 4.79 | Inhibitory activity against acetylcholinesterase in rat brain | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00102-3 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine