Compound Detail
CHEMBL81500
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Basic Information
| ChEMBL ID | CHEMBL81500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTKDNKYTFZGEPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
2.06
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.46 | nM | 9.34 | Inhibition of [3H](+)-pentazocine binding to sigma-1 receptor in guinea pig brai... | 9651150 |
| Sigma 2 receptor | Ki | = | 206.0 | nM | 6.69 | Inhibition of [3H]-DTG binding to sigma-2 receptor of rat liver membranes with 1... | 9651150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651150 | 10.1021/jm9800447 | Sigma non-opioid intracellular receptor 1 | 1 |
| 9651150 | 10.1021/jm9800447 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine