Compound Detail
CHEMBL322329
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Basic Information
| ChEMBL ID | CHEMBL322329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMXPANLFBPCCIX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
2.39
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 5200.0 | nM | 5.28 | Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain | 7932540 |
| Muscarinic acetylcholine receptor | Ki | = | 23300.0 | nM | 4.63 | Inhibition of radioligand [3H]NMS binding to muscarinic receptor of rat brain | 7932540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932540 | 10.1021/jm00045a022 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7932540 | 10.1021/jm00045a022 | Glutamate NMDA receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine