Compound Detail
CHEMBL99854
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Basic Information
| ChEMBL ID | CHEMBL99854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFIKUGPYXNCFAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
5.17
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.73 | 7.73 | 18.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 18.5 | nM | 7.73 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 501.0 | nM | 6.3 | Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H... | 7636860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636860 | 10.1021/jm00015a022 | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine