Compound Detail
CHEMBL1194508
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Basic Information
| ChEMBL ID | CHEMBL1194508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWAPBWHKJIEQJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.3
MW (Da)
2.88
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.14 | 5.64 | 72.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 72.44 | nM | 7.14 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain | 23414839 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 72000.0 | nM | 4.14 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain | 23414839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414839 | 10.1016/j.bmcl.2013.01.069 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine