Compound Detail
CHEMBL309064
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Basic Information
| ChEMBL ID | CHEMBL309064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKMTXBPXPWCYGI-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
4.02
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.4
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.94 | 5.94 | 1160.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.16 | 5.16 | 6970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.4 | nM | 9.4 | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membran... | 15084129 |
| Sigma 2 receptor | Ki | = | 7.9 | nM | 8.1 | In vitro binding affinity at opioid sigma-2 receptor in rat liver membranes by [... | 15084129 |
| D(2) dopamine receptor | Ki | = | 1160.0 | nM | 5.94 | In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]spirope... | 15084129 |
| Cavia porcellus | EC50 | = | 6970.0 | nM | 5.16 | Inhibition of electrically stimulated contractions of the isolated guinea pig ba... | 15084129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084129 | 10.1021/jm031026e | Sigma non-opioid intracellular receptor 1 | 2 |
| 15084129 | 10.1021/jm031026e | Sigma 2 receptor | 1 |
| 15084129 | 10.1021/jm031026e | D(2) dopamine receptor | 1 |
| 15084129 | 10.1021/jm031026e | Adrenergic receptor alpha-1 | 1 |
| 15084129 | 10.1021/jm031026e | Serotonin 3 (5-HT3) receptor | 1 |
| 15084129 | 10.1021/jm031026e | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine