Compound Detail
CHEMBL5200048
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Basic Information
| ChEMBL ID | CHEMBL5200048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZDNKHCPDYMOET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
3.21
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | Ki | 4.57 | 4.57 | 27100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 27100.0 | nM | 4.57 | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 c... | 35346843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35346843 | 10.1016/j.bmcl.2022.128701 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 35346843 | 10.1016/j.bmcl.2022.128701 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine