Compound Detail
CHEMBL4746028
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Basic Information
| ChEMBL ID | CHEMBL4746028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZHLMJNGQFKMCF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.42
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.08 | 8.08 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex m... | 32070917 |
| Sigma intracellular receptor 2 | Ki | = | 2.9 | nM | 8.54 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated f... | 32070917 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 8.4 | nM | 8.08 | Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell ... | 32070917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32070917 | 10.1016/j.ejmech.2020.112138 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine