Compound Detail
CHEMBL4550150
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Basic Information
| ChEMBL ID | CHEMBL4550150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLCBIKKNSJLROE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.52
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membra... | 31648876 |
| Unchecked | Ki | = | 270.0 | nM | 6.57 | Displacement of [3H]ifenprodil from GluN1A/GluN2B (unknown origin) expressed in ... | 31648876 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 430.0 | nM | 6.37 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 31648876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31648876 | 10.1016/j.bmc.2019.115146 | Unchecked | 3 |
| 31648876 | 10.1016/j.bmc.2019.115146 | Sigma non-opioid intracellular receptor 1 | 1 |
| 31648876 | 10.1016/j.bmc.2019.115146 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine