Compound Detail
CHEMBL2338715
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Basic Information
| ChEMBL ID | CHEMBL2338715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEJUQQOPVAUETF-LLSQANQASA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.36
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.66
Ki 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.39 | nM | 9.41 | Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells | 23438330 |
| Kappa-type opioid receptor | EC50 | = | 2.2 | nM | 8.66 | Agonist activity at human KOR expressed in CHO cells assessed as stimulation of ... | 23438330 |
| Mu-type opioid receptor | EC50 | = | 4.4 | nM | 8.36 | Agonist activity at rat recombinant MOR expressed in rat C6 cells assessed as st... | 23438330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23438330 | 10.1021/jm301543e | Kappa-type opioid receptor | 3 |
| 23438330 | 10.1021/jm301543e | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine