Compound Detail
CHEMBL26483
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O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL26483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDBSOVFDSPYHQJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
514.1
MW (Da)
5.22
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.54 | 7.54 | 28.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 15.0 | nM | 7.82 | Competitive binding affinity against transfected HEK293 cells expressing human O... | 10753470 |
| Kappa-type opioid receptor | Ki | = | 28.8 | nM | 7.54 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Mu-type opioid receptor | Ki | = | 61.0 | nM | 7.21 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Delta-type opioid receptor | Ki | = | 510.0 | nM | 6.29 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753470 | 10.1021/jm991129q | Nociceptin receptor | 1 |
| 10753470 | 10.1021/jm991129q | Mu-type opioid receptor | 1 |
| 10753470 | 10.1021/jm991129q | Kappa-type opioid receptor | 1 |
| 10753470 | 10.1021/jm991129q | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine