Compound Detail
CHEMBL307839
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Basic Information
| ChEMBL ID | CHEMBL307839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQAPZKSRSAJMRP-ROPPNANJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.5
MW (Da)
5.50
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | Ki | = | 0.33 | nM | 9.48 | Inhibition of [3H]-DTG binding to Sigma opioid receptor type 2 | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.87 | nM | 8.54 | Inhibition of [3H]pentazocine binding to Sigma opioid receptor type 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00417-4 | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.1016/S0960-894X(97)00417-4 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine