Compound Detail
CHEMBL109124
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Basic Information
| ChEMBL ID | CHEMBL109124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZJJWXHOVZHRTH-DEDYPNTBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.08
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | Ki | 7.28 | 7.185 | 52.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.86 | 6.8533 | 137.7 | 3 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | Ki | = | 52.0 | nM | 7.28 | Ability to inhibit [3H](+)-DTG binding to rat liver Sigma receptor type 2 in pre... | 7490727 |
| Sigma 2 receptor | Ki | = | 81.7 | nM | 7.09 | Ability to inhibit [3H](+)-DTG binding to rat liver Sigma receptor type 2 in pre... | 7490727 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 138.0 | nM | 6.86 | Ability to inhibit [3H](+)-pentazocine binding to guinea pig brain Sigma recepto... | 7490727 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 137.7 | nM | 6.86 | Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain | 7932540 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 145.0 | nM | 6.84 | Ability to inhibit [3H](+)-pentazocine binding to guinea pig brain Sigma recepto... | 7490727 |
| Muscarinic acetylcholine receptor | Ki | = | 11600.0 | nM | 4.94 | Inhibition of radioligand [3H]NMS binding to muscarinic receptor of rat brain | 7932540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490727 | 10.1021/jm00024a005 | Sigma 2 receptor | 4 |
| 7490727 | 10.1021/jm00024a005 | Sigma non-opioid intracellular receptor 1 | 2 |
| 7490727 | 10.1021/jm00024a005 | Mu-type opioid receptor | 2 |
| 7490727 | 10.1021/jm00024a005 | Delta-type opioid receptor | 2 |
| 7490727 | 10.1021/jm00024a005 | Kappa-type opioid receptor | 2 |
| 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