Compound Detail
CHEMBL4468676
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Basic Information
| ChEMBL ID | CHEMBL4468676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAHHIVYSBCUTKD-AZUAARDMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
3.79
ALogP
5
HBA
1
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Nociceptin receptor CHEMBL2014 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]nociceptin from recombinant human nociceptin opioid receptor... | 26878436 |
| Nociceptin receptor | IC50 | = | 5.3 | nM | 8.28 | Antagonist activity at human nociceptin opioid receptor expressed in CHO cell me... | 26878436 |
| Mu-type opioid receptor | Ki | = | 31.0 | nM | 7.51 | Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in... | 26878436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26878436 | 10.1021/acs.jmedchem.5b01499 | Nociceptin receptor | 2 |
| 26878436 | 10.1021/acs.jmedchem.5b01499 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine