Compound Detail
CHEMBL307595
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Basic Information
| ChEMBL ID | CHEMBL307595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHTHDTHIFBMWBR-TUXUZCGSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
3.91
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
| Delta-type opioid receptor CHEMBL269 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1.62 | nM | 8.79 | Binding ability towards opioid receptor mu expressed in homogenates of rat brain... | 1346276 |
| Delta-type opioid receptor | IC50 | = | 110.0 | nM | 6.96 | Binding ability towards opioid receptor delta expressed in homogenates of rat br... | 1346276 |
| Kappa-type opioid receptor | IC50 | = | 280.0 | nM | 6.55 | 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