Compound Detail
CHEMBL330376
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Basic Information
| ChEMBL ID | CHEMBL330376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQCVMYAEFTEFN-JCURWCKSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.10
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | IC50 | 7.16 | 7.16 | 69.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 69.4 | nM | 7.16 | Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor ... | 31391893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31391893 | 10.1039/C9MD00222G | Mu-type opioid receptor | 1 |
| 31391893 | 10.1039/C9MD00222G | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine