Compound Detail
CHEMBL5280960
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Basic Information
| ChEMBL ID | CHEMBL5280960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HELVAYSYFPKPOV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.22
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.75 | 6.745 | 180.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.5 | 6.495 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 181.97 | nM | 6.74 | Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane | 36283180 |
| D(4) dopamine receptor | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]N-methylspiperone from D4 receptor in HEK293 cell membrane | 36283180 |
| D(4) dopamine receptor | Ki | = | 323.59 | nM | 6.49 | Displacement of [3H]N-methylspiperone from D4 receptor in HEK293 cell membrane | 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 | 2 |
Data from ChEMBL 36 via Core Engine