Compound Detail
CHEMBL68905
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Basic Information
| ChEMBL ID | CHEMBL68905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXILFPQESHGEGQ-WEVVVXLNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
2.34
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 29.0 | nM | 7.54 | Binding affinity for Sigma receptor type 1,using [3H](+)-pentazocine as radiolig... | 15081012 |
| Sigma 2 receptor | Ki | = | 1300.0 | nM | 5.89 | Binding affinity of compound was measured towards Sigma receptor type 2 by using... | 15081012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081012 | 10.1016/j.bmcl.2004.02.018 | Sigma non-opioid intracellular receptor 1 | 2 |
| 15081012 | 10.1016/j.bmcl.2004.02.018 | Sigma 2 receptor | 1 |
| 7252977 | 10.1021/jm00138a007 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine