Compound Detail
CHEMBL1171555
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Basic Information
| ChEMBL ID | CHEMBL1171555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWMXSPBPJJFCHG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.32
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.37 | 8.8067 | 0.4 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.43 | nM | 9.37 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.43 | nM | 9.37 | Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after... | 21859078 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Unchecked | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]ditolylguanidine from rat liver sigma 2 receptor by scintill... | 21859078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21859078 | 10.1021/jm200585k | Unchecked | 3 |
| 20427100 | 10.1016/j.ejmech.2010.03.048 | Sigma non-opioid intracellular receptor 1 | 2 |
| 21859078 | 10.1021/jm200585k | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine