Compound Detail
CHEMBL4545210
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Basic Information
| ChEMBL ID | CHEMBL4545210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFMCRDMUZOAUJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.35
ALogP
7
HBA
0
HBD
65.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human AChE | 31401465 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV h... | 31401465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31401465 | 10.1016/j.ejmech.2019.07.040 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 31401465 | 10.1016/j.ejmech.2019.07.040 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine