Compound Detail
CHEMBL536782
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Basic Information
| ChEMBL ID | CHEMBL536782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCTNLGBIKQEYLS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188589 |
| Active Moiety | CHEMBL1188589 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.76
ALogP
2
HBA
3
HBD
70.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.81 | 6.745 | 155.0 | 2 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 155.0 | nM | 6.81 | In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid rec... | 1975275 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 207.0 | nM | 6.68 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 1975275 |
| Glutamate [NMDA] receptor | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibitory activity against [3H]-TCP binding to PCP receptor in guinea ... | 1975275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1975275 | 10.1021/jm00171a016 | Sigma non-opioid intracellular receptor 1 | 2 |
| 1975275 | 10.1021/jm00171a016 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine