Compound Detail
CHEMBL419272
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Basic Information
| ChEMBL ID | CHEMBL419272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVSGXJXRFGUGTJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
4.63
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
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 |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]-orphanin FQ from human OrphaninFQ (hOFQ) receptor | 10476866 |
| Mu-type opioid receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]naloxone from human mu opioid receptor | 10476866 |
| Kappa-type opioid receptor | Ki | = | 79.43 | nM | 7.1 | Displacement of [3H]naloxone from human kappa opioid receptor | 10476866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Nociceptin receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Mu-type opioid receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Kappa-type opioid receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine