Compound Detail
CHEMBL394573
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Basic Information
| ChEMBL ID | CHEMBL394573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYFRBZFZZCVVGT-CZTZKLFOSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.04
ALogP
2
HBA
2
HBD
58.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.49
EC50 2 meas. best 7.2
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membran... | 17433695 |
| Kappa-type opioid receptor | Ki | = | 8.9 | nM | 8.05 | Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO me... | 17433695 |
| Mu-type opioid receptor | EC50 | = | 63.0 | nM | 7.2 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 17433695 |
| Kappa-type opioid receptor | EC50 | = | 87.0 | nM | 7.06 | Agonist activity at human kappa opioid receptor expressed in CHO cells assessed ... | 17433695 |
| Delta-type opioid receptor | Ki | = | 160.0 | nM | 6.8 | Displacement of [3H]naltrindole from human delta opioid receptor expressed in CH... | 17433695 |
| Mu-type opioid receptor | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at human mu opioid receptor expressed in CHO cells assessed ... | 17433695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17433695 | 10.1016/j.bmc.2007.03.076 | Mu-type opioid receptor | 5 |
| 17433695 | 10.1016/j.bmc.2007.03.076 | Kappa-type opioid receptor | 4 |
| 17433695 | 10.1016/j.bmc.2007.03.076 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine