Compound Detail
CHEMBL60474
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Basic Information
| ChEMBL ID | CHEMBL60474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DECJUPUBYKANQM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.94
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 8.2 | 7.285 | 6.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 6.3 | nM | 8.2 | Compound was evaluated for the binding affinity towards Sigma receptor type 1 us... | 7783132 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 430.0 | nM | 6.37 | Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as rad... | 7783132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783132 | 10.1021/jm00011a020 | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine