Compound Detail
CHEMBL53649
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Basic Information
| ChEMBL ID | CHEMBL53649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYVORFBBJKNNDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
3.17
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.89 | nM | 8.31 | Compound was tested for its binding affinity against sigma 1 opioid receptor usi... | 10636233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636233 | 10.1016/s0960-894x(99)00590-9 | Sigma non-opioid intracellular receptor 1 | 2 |
| 10636233 | 10.1016/s0960-894x(99)00590-9 | Sigma 2 receptor | 1 |
| 16366605 | 10.1021/jm050654o | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine