Compound Detail
CHEMBL101607
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Basic Information
| ChEMBL ID | CHEMBL101607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAAXWTHVNTVMCJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.41
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.74 | 7.485 | 18.4 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.64 | 6.475 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 18.4 | nM | 7.74 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 58.6 | nM | 7.23 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 230.0 | nM | 6.64 | Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 487.0 | nM | 6.31 | 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 | 6 |
Data from ChEMBL 36 via Core Engine