Compound Detail
CHEMBL274699
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Basic Information
| ChEMBL ID | CHEMBL274699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFOWKTXUYSMIRP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
3.50
ALogP
4
HBA
0
HBD
25.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.74 | 7.74 | 18.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.6 | nM | 9.22 | The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazo... | 9544213 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H](+)pentazocine from sigma-1 receptor in Cavia porcellus (gui... | - |
| Unchecked | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]DTG from sigma-1 receptor in Cavia porcellus (guinea pig) br... | - |
| Sigma 2 receptor | Ki | = | 18.1 | nM | 7.74 | Affinity on sigma 2 receptor using [3H]- DTG as radioligand | 9544213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544213 | 10.1021/jm970682+ | Rattus norvegicus | 13 |
| 9544213 | 10.1021/jm970682+ | Mus musculus | 10 |
| 9544213 | 10.1021/jm970682+ | ADMET | 3 |
| 9544213 | 10.1021/jm970682+ | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.1007/s00044-005-0131-1 | Unchecked | 2 |
| 9544213 | 10.1021/jm970682+ | Sigma 2 receptor | 1 |
| - | 10.1007/s00044-005-0131-1 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine