Compound Detail
CHEMBL97392
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Basic Information
| ChEMBL ID | CHEMBL97392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KESWGPUNXUMNMF-OAQYLSRUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.26
ALogP
4
HBA
0
HBD
35.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 2.3 | nM | 8.64 | Tested for inhibitory concentration against [3H]U-69593 binding at kappa-opioid ... | 8071934 |
| Unchecked | IC50 | = | 58.0 | nM | 7.24 | Tested for inhibitory concentration against [3H]bremazocine binding to total sit... | 8071934 |
| Delta-type opioid receptor | IC50 | = | 1060.0 | nM | 5.97 | Tested for inhibitory concentration against [3H]DPDPE binding at sites of delta-... | 8071934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071934 | 10.1021/jm00044a006 | Kappa-type opioid receptor | 10 |
| 8071934 | 10.1021/jm00044a006 | Unchecked | 1 |
| 8071934 | 10.1021/jm00044a006 | Mu-type opioid receptor | 1 |
| 8071934 | 10.1021/jm00044a006 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine