Compound Detail
CHEMBL4544227
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Basic Information
| ChEMBL ID | CHEMBL4544227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJANMOWVUZBDQF-DEOSSOPVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
3.64
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.68
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.21 | nM | 9.68 | Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opi... | 26878436 |
| Nociceptin receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human nociceptin opioid receptor expressed in HEK293 cell me... | 26878436 |
| Mu-type opioid receptor | Ki | = | 35.0 | nM | 7.46 | 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