Compound Detail
CHEMBL38085
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Basic Information
| ChEMBL ID | CHEMBL38085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZTBMIWQKQVGNL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
325.5
MW (Da)
3.78
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 25.0 | nM | 7.6 | Compound was tested for its binding affinity towards sigma 1 receptor using [3H]... | 9572880 |
| Sigma 2 receptor | Ki | = | 1700.0 | nM | 5.77 | Binding affinity towards sigma 2 receptor using [3H]DTG in the presence of 200 n... | 9572880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572880 | 10.1021/jm970740r | Sigma non-opioid intracellular receptor 1 | 2 |
| 9572880 | 10.1021/jm970740r | Sigma 2 receptor | 1 |
| 9572880 | 10.1021/jm970740r | Serotonin 2 (5-HT2) receptor | 1 |
| 9572880 | 10.1021/jm970740r | D(2) dopamine receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1A adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Alpha-1B adrenergic receptor | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M2 | 1 |
| 9572880 | 10.1021/jm970740r | Muscarinic acetylcholine receptor M3 | 1 |
| 9572880 | 10.1021/jm970740r | Opioid receptor | 1 |
| 9572880 | 10.1021/jm970740r | Glutamate receptor ionotropic, NMDA 2C | 1 |
Data from ChEMBL 36 via Core Engine