Compound Detail
CHEMBL67378
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C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL67378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQWVAUSXZDRQPZ-OREGWCPLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.85
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | IC50 | 8.46 | 7.985 | 3.5 | 2 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.82 | 5.82 | 1517.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.04 | 5.04 | 9138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 3.5 | nM | 8.46 | Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted ... | 8035418 |
| Delta-type opioid receptor | IC50 | = | 30.9 | nM | 7.51 | Tested for agonist activity against delta opioid receptor mouse vas deferens | 8035418 |
| Mu-type opioid receptor | IC50 | = | 1517.0 | nM | 5.82 | Tested for agonist activity against mu opioid receptor in guinea pig ileum | 8035418 |
| Mu-type opioid receptor | IC50 | = | 9138.0 | nM | 5.04 | Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain memb... | 8035418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8035418 | 10.1021/jm00040a002 | Mu-type opioid receptor | 2 |
| 8035418 | 10.1021/jm00040a002 | Delta-type opioid receptor | 2 |
| 8035418 | 10.1021/jm00040a002 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine