Compound Detail
CHEMBL115508
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Basic Information
| ChEMBL ID | CHEMBL115508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZUJERGWKSXINO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.60
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.9
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.0 | nM | 8.52 | The compound was tested for its binding affinity towards Sigma opioid receptor i... | 1662725 |
| D(2) dopamine receptor | IC50 | = | 1250.0 | nM | 5.9 | Compound was tested for its binding affinity towards Dopamine receptor D2 by usi... | 1662725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1662725 | 10.1021/jm00116a003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1662725 | 10.1021/jm00116a003 | D(1A) dopamine receptor | 1 |
| 1662725 | 10.1021/jm00116a003 | D(2) dopamine receptor | 1 |
| 1662725 | 10.1021/jm00116a003 | Rattus norvegicus | 1 |
| 17428659 | 10.1016/j.bmcl.2007.03.061 | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine