Compound Detail
CHEMBL4452617
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Basic Information
| ChEMBL ID | CHEMBL4452617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHMJSRWSSKMQQM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.84
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon CHEMBL4961 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon | IC50 | = | 18100.0 | nM | 4.74 | Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate ... | 31158742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158742 | 10.1016/j.ejmech.2019.05.051 | Acetylcholine receptor subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine