Compound Detail
CHEMBL47488
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Basic Information
| ChEMBL ID | CHEMBL47488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYQHQUFUGAUIJV-SCTDOJESSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
5.44
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.11 | 6.11 | 780.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 780.0 | nM | 6.11 | Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 14695830 |
| Mu-type opioid receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in ... | 14695830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695830 | 10.1021/jm0304156 | Mu-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Delta-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Kappa-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; mu & delta | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine