Compound Detail
CHEMBL103458
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Basic Information
| ChEMBL ID | CHEMBL103458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOUQADGXCVUBSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.3
MW (Da)
4.65
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.55 | 6.55 | 283.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.49 | nM | 8.6 | Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine a... | 7636861 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 283.0 | nM | 6.55 | Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radiol... | 7636861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636861 | 10.1021/jm00015a023 | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine