Compound Detail
CHEMBL539579
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Basic Information
| ChEMBL ID | CHEMBL539579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQKQJRHPRICRFY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189855 |
| Active Moiety | CHEMBL1189855 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.0
MW (Da)
4.89
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 5.0 | nM | 8.3 | Displacement of [3H]nalotrexone from rat-brain Opioid receptors | 6288945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6288945 | 10.1021/jm00350a006 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine