Compound Detail
CHEMBL5283424
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Basic Information
| ChEMBL ID | CHEMBL5283424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGBVFDRZRIBNNL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.6
MW (Da)
4.31
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.12 | 7.12 | 75.9 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 4.42 | 4.36 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.16 | nM | 8.21 | Displacement of [3H]pentazocine from sigma 1 receptor expressed in guinea pig br... | 36202063 |
| Sigma intracellular receptor 2 | Ki | = | 75.9 | nM | 7.12 | Displacement of [3H]DTG from sigma 2 receptor expressed in rat liver membranes a... | 36202063 |
| SK-MEL-28 | IC50 | = | 38000.0 | nM | 4.42 | Anti-proliferative against human SK-MEL-28 cells assessed as reduction in cell v... | 36202063 |
| SK-MEL-28 | IC50 | = | 50000.0 | nM | 4.3 | Anti-proliferative against human SK-MEL-28 cells assessed as reduction in cell v... | 36202063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36202063 | 10.1016/j.bmc.2022.117032 | SK-MEL-28 | 2 |
| 36202063 | 10.1016/j.bmc.2022.117032 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36202063 | 10.1016/j.bmc.2022.117032 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine