Compound Detail
CHEMBL309491
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Basic Information
| ChEMBL ID | CHEMBL309491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCNLHYDEJHTWRT-GCJKJVERSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.03
ALogP
4
HBA
3
HBD
84.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Delta-type opioid receptor CHEMBL269 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 0.5 | nM | 9.3 | Binding ability towards opioid receptor mu expressed in homogenates of rat brain... | 1346276 |
| Delta-type opioid receptor | IC50 | = | 21.0 | nM | 7.68 | Binding ability towards opioid receptor delta expressed in homogenates of rat br... | 1346276 |
| Kappa-type opioid receptor | IC50 | = | 1300.0 | nM | 5.89 | Binding ability towards opioid receptor kappa expressed in homogenates of rat br... | 1346276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1346276 | 10.1021/jm00080a005 | Delta-type opioid receptor | 2 |
| 1346276 | 10.1021/jm00080a005 | Kappa-type opioid receptor | 2 |
| 1346276 | 10.1021/jm00080a005 | Mu-type opioid receptor | 1 |
| 1346276 | 10.1021/jm00080a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine