Compound Detail
CHEMBL2017957
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Basic Information
| ChEMBL ID | CHEMBL2017957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOAJMZOLFDIMQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.9
MW (Da)
4.60
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.73 | 8.73 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.87 | nM | 8.73 | Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homog... | 24900272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900272 | 10.1021/ml2001505 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine