Compound Detail
CHEMBL522375
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Basic Information
| ChEMBL ID | CHEMBL522375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUEWNLFTXXPHJW-WCFQSHCHSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.30
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.26
EC50 1 meas. best 7.82
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.55 | nM | 9.26 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | 18417347 |
| Kappa-type opioid receptor | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO ce... | 18417347 |
| Kappa-type opioid receptor | EC50 | = | 15.0 | nM | 7.82 | Activity at human kappa opioid receptor expressed in CHO cells assessed as stimu... | 18417347 |
| Mu-type opioid receptor | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity at human mu opioid receptor expressed in CHO cells assessed ... | 18417347 |
| Delta-type opioid receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]naltrindole from human delta opioid receptor expressed in CH... | 18417347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18417347 | 10.1016/j.bmc.2008.03.066 | Mu-type opioid receptor | 4 |
| 18417347 | 10.1016/j.bmc.2008.03.066 | Kappa-type opioid receptor | 4 |
| 18417347 | 10.1016/j.bmc.2008.03.066 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine