Compound Detail
CHEMBL2355317
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Basic Information
| ChEMBL ID | CHEMBL2355317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXUBAVLIJFTASZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.28
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | IC50 | 6.3 | 6.3 | 495.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 0.48 | nM | 9.32 | Displacement of [3H]DAMGO from rat brain mu opioid receptor incubated for 60 min... | 31391893 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 495.3 | nM | 6.3 | 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