Compound Detail
CHEMBL27716
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Basic Information
| ChEMBL ID | CHEMBL27716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKJVDKFKDYMREK-OAQYLSRUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
3.49
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.91 | 7.91 | 12.3 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.33 | 7.33 | 46.3 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 2.5 | nM | 8.6 | Competitive binding affinity against transfected HEK293 cells expressing Opioid ... | 10753470 |
| Mu-type opioid receptor | Ki | = | 12.3 | nM | 7.91 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Kappa-type opioid receptor | Ki | = | 46.3 | nM | 7.33 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Delta-type opioid receptor | Ki | = | 530.0 | nM | 6.28 | 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