Compound Detail
CHEMBL272592
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Basic Information
| ChEMBL ID | CHEMBL272592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAVIYNBTNRCQNL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.39
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.44 | 5.44 | 3641.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.29 | 5.29 | 5155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 90.0 | nM | 7.05 | Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in HEK2... | 18232652 |
| Kappa-type opioid receptor | Ki | = | 3641.0 | nM | 5.44 | Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in ... | 18232652 |
| Mu-type opioid receptor | Ki | = | 5155.0 | nM | 5.29 | Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO... | 18232652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18232652 | 10.1021/jm7009606 | Unchecked | 2 |
| 18232652 | 10.1021/jm7009606 | Nociceptin receptor | 1 |
| 18232652 | 10.1021/jm7009606 | Delta-type opioid receptor | 1 |
| 18232652 | 10.1021/jm7009606 | Mu-type opioid receptor | 1 |
| 18232652 | 10.1021/jm7009606 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine