Compound Detail
CHEMBL111347
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Basic Information
| ChEMBL ID | CHEMBL111347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRTQOYUOPOJCLI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
5.35
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 12.0 | nM | 7.92 | Antagonistic activity against orphan FQ receptor | 12951102 |
| Mu-type opioid receptor | Ki | = | 21.0 | nM | 7.68 | Antagonistic activity against opioid receptor mu1 | 12951102 |
| Delta-type opioid receptor | Ki | = | 10000.0 | nM | 5.0 | Antagonistic activity against Opioid receptor delta 1 | 12951102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Mu-type opioid receptor | 2 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Nociceptin receptor | 1 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Delta-type opioid receptor | 1 |
| 12951102 | 10.1016/s0960-894x(03)00665-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine