Compound Detail
CHEMBL54407
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Basic Information
| ChEMBL ID | CHEMBL54407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXEOOVDVZWTHKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.60
ALogP
2
HBA
3
HBD
57.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 7.0 | nM | 8.15 | Displacement of [3H]DTG from sigma opioid receptor of homogenized guinea pig who... | 1648140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648140 | 10.1021/jm00110a017 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine