Compound Detail
CHEMBL4284762
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Basic Information
| ChEMBL ID | CHEMBL4284762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMDBBSIXVQMZGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
238.4
MW (Da)
3.13
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.19 | 7.19 | 65.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 65.2 | nM | 7.19 | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence... | 29287249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29287249 | 10.1016/j.ejmech.2017.12.024 | Unchecked | 2 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | ATP-dependent translocase ABCB1 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | Sigma intracellular receptor 2 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | Panc02 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | MIA PaCa-2 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | BXPC-3 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | ASPC1 | 1 |
| 29287249 | 10.1016/j.ejmech.2017.12.024 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine