Compound Detail
CHEMBL102860
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Basic Information
| ChEMBL ID | CHEMBL102860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTONQGWHDGBSSY-UHFFFAOYSA-N |
2
Targets
4
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 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.43 | 7.135 | 37.4 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.14 | 6.79 | 72.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 37.4 | nM | 7.43 | Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine a... | 7636861 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 72.8 | nM | 7.14 | Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radiol... | 7636861 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 144.0 | nM | 6.84 | Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine a... | 7636861 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 365.0 | nM | 6.44 | 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 | 6 |
Data from ChEMBL 36 via Core Engine