Compound Detail
CHEMBL473280
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CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL473280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYYKUZKRRODNKD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
516.8
MW (Da)
6.06
ALogP
4
HBA
0
HBD
30.0
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.09 | 7.09 | 82.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.07 | 7.07 | 86.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 6.7 | nM | 8.17 | Displacement of [125I]nociceptin from human NOP expressed in CHO cells | 19147350 |
| Mu-type opioid receptor | Ki | = | 82.0 | nM | 7.09 | Displacement of [125I]diprenorphine from human MOP expressed in CHO cells | 19147350 |
| Kappa-type opioid receptor | Ki | = | 86.0 | nM | 7.07 | Displacement of [125I]diprenorphine from human KOP expressed in CHO cells | 19147350 |
| Delta-type opioid receptor | Ki | = | 2980.0 | nM | 5.53 | Displacement of [125I]diprenorphine from human DOP expressed in CHO cells | 19147350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19147350 | 10.1016/j.bmcl.2008.12.092 | Nociceptin receptor | 1 |
| 19147350 | 10.1016/j.bmcl.2008.12.092 | Delta-type opioid receptor | 1 |
| 19147350 | 10.1016/j.bmcl.2008.12.092 | Kappa-type opioid receptor | 1 |
| 19147350 | 10.1016/j.bmcl.2008.12.092 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine