Compound Detail
CHEMBL81058
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Basic Information
| ChEMBL ID | CHEMBL81058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDYJQXNVRDXHJA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179510 |
| Active Moiety | CHEMBL1179510 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.54
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 6.33 | 5.79 | 472.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 472.0 | nM | 6.33 | Concentration that produces 50% inhibition of stereospecific [3H]naloxone bindin... | 2153204 |
| Opioid receptor | IC50 | = | 5590.0 | nM | 5.25 | Concentration that produces 50% inhibition of stereospecific [3H]naloxone bindin... | 2153204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153204 | 10.1021/jm00163a040 | Opioid receptor | 2 |
| 2153204 | 10.1021/jm00163a040 | Unchecked | 1 |
| 2153204 | 10.1021/jm00163a040 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine