Compound Detail
CHEMBL539360
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Basic Information
| ChEMBL ID | CHEMBL539360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGDLVBCYCWLLBF-ASTDGNLGSA-N |
| Parent Compound | CHEMBL1189757 |
| Active Moiety | CHEMBL1189757 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
5.76
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 345.0 | nM | 6.46 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 1975275 |
| Glutamate [NMDA] receptor | IC50 | = | 3500.0 | nM | 5.46 | In vitro inhibitory activity against [3H](+)-MK-801 binding to PCP receptor in g... | 1975275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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