Compound Detail
CHEMBL4553195
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Basic Information
| ChEMBL ID | CHEMBL4553195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZVPKULKIVXSNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
3.67
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.25 | 6.25 | 562.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain me... | 31255496 |
| Sigma intracellular receptor 2 | Ki | = | 562.0 | nM | 6.25 | Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver memb... | 31255496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31255496 | 10.1016/j.bmc.2019.06.035 | Sigma non-opioid intracellular receptor 1 | 1 |
| 31255496 | 10.1016/j.bmc.2019.06.035 | Sigma intracellular receptor 2 | 1 |
| 31255496 | 10.1016/j.bmc.2019.06.035 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 31255496 | 10.1016/j.bmc.2019.06.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine