Compound Detail
CHEMBL4792070
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Basic Information
| ChEMBL ID | CHEMBL4792070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYKJVLTXPNIGOV-KTKRTIGZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.0
MW (Da)
7.06
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.0 | nM | 8.7 | Displacement of [H3]DTG from sigma 1 receptor (unknown origin) by competition bi... | 36202063 |
| Sigma intracellular receptor 2 | IC50 | = | 45.0 | nM | 7.35 | Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition bi... | 36202063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 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