Compound Detail
CHEMBL5289958
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Basic Information
| ChEMBL ID | CHEMBL5289958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGUJMJSODMVSHV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
5.59
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.15 | 8.15 | 7.1 | 2 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.46 | 6.46 | 345.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.82 | 5.82 | 1527.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.079 | nM | 8.15 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma intracellular receptor 2 | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]DTG from sigma-2 receptor in HEK293 cell membrane assessed a... | 36283180 |
| D(3) dopamine receptor | Ki | = | 345.0 | nM | 6.46 | Displacement of [3H]N-methylspiperone from D3 receptor in HEK293 cell membrane a... | 36283180 |
| D(1A) dopamine receptor | Ki | = | 1527.0 | nM | 5.82 | Displacement of [3H]SCH23390 from D1 receptor in HEK293 cell membrane assessed 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(2) dopamine receptor | 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