Compound Detail
CHEMBL81678
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Basic Information
| ChEMBL ID | CHEMBL81678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWSPHFNZKHLAFX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.1
MW (Da)
4.35
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.9 | 6.83 | 125.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 125.0 | nM | 6.9 | Tested in vitro for the concentration required to inhibit specific [3H]DTG radio... | 8295213 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 173.0 | nM | 6.76 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 1975275 |
| Glutamate NMDA receptor | IC50 | = | 1100.0 | nM | 5.96 | In vitro concentration required to inhibit specific [3H]MK-801 radioligand bindi... | 8295213 |
| Glutamate [NMDA] receptor | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibitory activity against [3H]-TCP binding to PCP receptor in guinea ... | 1975275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8295213 | 10.1021/jm00028a009 | Glutamate NMDA receptor | 1 |
| 8295213 | 10.1021/jm00028a009 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1975275 | 10.1021/jm00171a016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1975275 | 10.1021/jm00171a016 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine