Compound Detail
CHEMBL1730860
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Basic Information
| ChEMBL ID | CHEMBL1730860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGECDAQWBBZAAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
3.00
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of BuChE (unknown origin) | 28371641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 28371641 | 10.1016/j.ejmech.2017.03.062 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine