Compound Detail
CHEMBL367330
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Basic Information
| ChEMBL ID | CHEMBL367330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCBZYOQBVVWJOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
5.43
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | Ki | 5.7 | 5.11 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | Ki | = | 2000.0 | nM | 5.7 | Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane i... | 6268789 |
| Opioid receptor | Ki | = | 30000.0 | nM | 4.52 | Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid re... | 6268789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6268789 | 10.1021/jm00139a030 | Mus musculus | 3 |
| 6268789 | 10.1021/jm00139a030 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine