Compound Detail
CHEMBL1170964
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Basic Information
| ChEMBL ID | CHEMBL1170964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJXBIGTXKWGBES-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
4.19
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.18 | 8.8667 | 0.7 | 3 |
| Unchecked CHEMBL612545 | Ki | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.66 | nM | 9.18 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.66 | nM | 9.18 | Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid re... | 22515405 |
| Unchecked | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]-di-o-tolyguanidine from rat liver sigma 2 receptor after 18... | 22515405 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 5.8 | nM | 8.24 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22515405 | 10.1021/jm300302p | Unchecked | 3 |
| 20427100 | 10.1016/j.ejmech.2010.03.048 | Sigma non-opioid intracellular receptor 1 | 2 |
| 22515405 | 10.1021/jm300302p | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine