Compound Detail
CHEMBL74080
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Basic Information
| ChEMBL ID | CHEMBL74080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWBVIQHDYZTFCX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.6
MW (Da)
5.62
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.84 | 8.84 | 1.4 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.45 | nM | 8.84 | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membran... | 15084129 |
| Sigma 2 receptor | Ki | = | 7.85 | nM | 8.11 | In vitro binding affinity at opioid sigma-2 receptor in rat liver membranes by [... | 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 | Adrenergic receptor alpha-1 | 1 |
| 15084129 | 10.1021/jm031026e | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine