Compound Detail
CHEMBL5288298
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Basic Information
| ChEMBL ID | CHEMBL5288298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTHHJVJOWMXRBS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.09
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.8 | 7.795 | 16.0 | 2 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.29 | 6.29 | 512.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 16.22 | nM | 7.79 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma intracellular receptor 2 | Ki | = | 47.0 | nM | 7.33 | Displacement of [3H]DTG from sigma-2 receptor in HEK293 cell membrane assessed a... | 36283180 |
| D(3) dopamine receptor | Ki | = | 512.0 | nM | 6.29 | Displacement of [3H]N-methylspiperone from D3 receptor in HEK293 cell membrane a... | 36283180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36283180 | 10.1016/j.ejmech.2022.114840 | Sigma non-opioid intracellular receptor 1 | 2 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | D(4) dopamine receptor | 1 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | Sigma intracellular receptor 2 | 1 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | D(3) dopamine receptor | 1 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | D(1B) dopamine receptor | 1 |
| 36283180 | 10.1016/j.ejmech.2022.114840 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine