Compound Detail
CHEMBL312281
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Basic Information
| ChEMBL ID | CHEMBL312281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFEYPBZJPJJRFX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
3.83
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Opioid receptor CHEMBL2094129 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 4.0 | nM | 8.4 | Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1 | 2167979 |
| Opioid receptor | Ki | = | 10.0 | nM | 8.0 | Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(... | 2167979 |
| Delta-type opioid receptor | Ki | = | 75.0 | nM | 7.12 | Opioid receptor delta 1 apparent binding constant from rat brain membranes using... | 2167979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167979 | 10.1021/jm00171a020 | Mu-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Delta-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine