Compound Detail
CHEMBL1783458
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Basic Information
| ChEMBL ID | CHEMBL1783458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSDJKXKQVVQRKG-NHCUHLMSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.23
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.7 | 7.635 | 20.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.04 | 6.04 | 903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain h... | 23013229 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor PCP binding site in g... | 21444132 |
| Unchecked | Ki | = | 903.0 | nM | 6.04 | Displacement of [3H]-ditolylguanidine from sigma 2 receptor PCP binding site in ... | 21444132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Unchecked | 3 |
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Sigma non-opioid intracellular receptor 1 | 1 |
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Mus musculus | 1 |
| 23013229 | 10.1021/jm301166m | Sigma non-opioid intracellular receptor 1 | 1 |
| 23013229 | 10.1021/jm301166m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine