Compound Detail
CHEMBL5187386
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O[C@@H](CN1[C@@H]2CC[C@H]1C[C@@H](Cc1ccc(F)cc1)C2)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL5187386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYJHQVKMJDLRRC-AEMJNJESSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.48
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B expressed in... | 35468513 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.2 | nM | 8.92 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 35468513 |
| Sigma intracellular receptor 2 | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]-DTG from sigma 2 receptor in rat liver membrane measured af... | 35468513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35468513 | 10.1016/j.ejmech.2022.114359 | Unchecked | 1 |
| 35468513 | 10.1016/j.ejmech.2022.114359 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35468513 | 10.1016/j.ejmech.2022.114359 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine