Compound Detail
CHEMBL48344
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Basic Information
| ChEMBL ID | CHEMBL48344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIIDBNSZSIVLLR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
4.41
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Mus musculus CHEMBL375 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 0.65 | nM | 9.19 | Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated g... | 8648612 |
| Cavia porcellus | IC50 | = | 0.65 | nM | 9.19 | Tested for agonist potency by conducting tests on electrically stimulated guinea... | 7799399 |
| Kappa-type opioid receptor | IC50 | = | 4.5 | nM | 8.35 | Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated m... | 8648612 |
| Mus musculus | IC50 | = | 4.5 | nM | 8.35 | Tested for agonist potency by conducting tests on mouse vas deferens preparation | 7799399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648612 | 10.1021/jm950813b | Kappa-type opioid receptor | 2 |
| 7799399 | 10.1021/jm00052a008 | Cavia porcellus | 1 |
| 7799399 | 10.1021/jm00052a008 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine