Compound Detail
CHEMBL14875
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Basic Information
| ChEMBL ID | CHEMBL14875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOTVBAFVZJPADP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
3.53
ALogP
5
HBA
0
HBD
42.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.7 | 6.7 | 202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H](+)pentazocine from sigma-1 receptor in Cavia porcellus (gui... | - |
| Unchecked | Ki | = | 202.0 | nM | 6.7 | Displacement of [3H]DTG from sigma-1 receptor in Cavia porcellus (guinea pig) br... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544213 | 10.1021/jm970682+ | Mus musculus | 4 |
| 9544213 | 10.1021/jm970682+ | ADMET | 2 |
| - | 10.1007/s00044-005-0131-1 | Unchecked | 2 |
| - | 10.1007/s00044-005-0131-1 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine