Compound Detail
CHEMBL477036
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Basic Information
| ChEMBL ID | CHEMBL477036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOUPGWGAPDMYFM-LJQANCHMSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.37
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.42 | 7.42 | 38.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.75 | 177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 18499305 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 28764962 |
| Unchecked | Ki | = | 177.0 | nM | 6.75 | Displacement of [3H]ditolylguanidine from sigma 2 receptor in rat liver membrane... | 18499305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Unchecked | 2 |
| 18499305 | 10.1016/j.ejmech.2008.03.033 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine