Compound Detail
CHEMBL1766022
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Basic Information
| ChEMBL ID | CHEMBL1766022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOQOWBZOEYYDGE-JNAXZKDPSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
EC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cel... | 21351746 |
| Mu-type opioid receptor | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells a... | 21351746 |
| Kappa-type opioid receptor | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at human kappa opioid receptor expressed in CHO cells assessed ... | 21351746 |
| Delta-type opioid receptor | Ki | = | 54.0 | nM | 7.27 | Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CH... | 21351746 |
| Mu-type opioid receptor | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 21351746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21351746 | 10.1021/jm101542c | Kappa-type opioid receptor | 4 |
| 21351746 | 10.1021/jm101542c | Mu-type opioid receptor | 4 |
| 21351746 | 10.1021/jm101542c | Unchecked | 2 |
| 21351746 | 10.1021/jm101542c | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine