Compound Detail
CHEMBL321092
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Basic Information
| ChEMBL ID | CHEMBL321092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZIVFTSZIVQCKX-OFVILXPXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.6
MW (Da)
5.20
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.9 | 6.9 | 126.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.8 | 5.8 | 1589.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.06 | 5.06 | 8695.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 126.0 | nM | 6.9 | Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand | 10571174 |
| Mu-type opioid receptor | Ki | = | 1589.0 | nM | 5.8 | Binding affinity towards opioid Mu receptor using [3H]DAMGO as radioligand | 10571174 |
| Kappa-type opioid receptor | Ki | = | 8695.0 | nM | 5.06 | Binding affinity towards opioid kappa receptor using [3H]U-69593 as radioligand | 10571174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10571174 | 10.1016/s0960-894x(99)00525-9 | Mu-type opioid receptor | 1 |
| 10571174 | 10.1016/s0960-894x(99)00525-9 | Delta-type opioid receptor | 1 |
| 10571174 | 10.1016/s0960-894x(99)00525-9 | Kappa-type opioid receptor | 1 |
| 10571174 | 10.1016/s0960-894x(99)00525-9 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine