Compound Detail
CHEMBL556021
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Basic Information
| ChEMBL ID | CHEMBL556021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTSYIWBGSVMIHB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196158 |
| Active Moiety | CHEMBL1196158 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
2.82
ALogP
1
HBA
2
HBD
50.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.68 | 7.68 | 21.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 21.1 | nM | 7.68 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 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