Compound Detail
CHEMBL59249
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Basic Information
| ChEMBL ID | CHEMBL59249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKBUTBMEKXPRLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
5.15
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | IC50 | = | 0.21 | nM | 9.68 | Binding affinity towards sigma receptor binding site 2 using [3H]DTG of whole ra... | 7783131 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 5.7 | nM | 8.24 | Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine | 7783131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783131 | 10.1021/jm00011a019 | Sigma non-opioid intracellular receptor 1 | 2 |
| 7783131 | 10.1021/jm00011a019 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine