Compound Detail
CHEMBL4744466
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Basic Information
| ChEMBL ID | CHEMBL4744466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHDDAZNIYSRFOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.85
ALogP
8
HBA
0
HBD
75.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 9.42 | 9.42 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 0.38 | nM | 9.42 | Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after ... | 33049607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33049607 | 10.1016/j.ejmech.2020.112906 | MCF-10A | 2 |
| 33049607 | 10.1016/j.ejmech.2020.112906 | MCF7 | 2 |
| 33049607 | 10.1016/j.ejmech.2020.112906 | Sigma intracellular receptor 2 | 2 |
| 33049607 | 10.1016/j.ejmech.2020.112906 | Unchecked | 1 |
| 33049607 | 10.1016/j.ejmech.2020.112906 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine