Compound Detail
CHEMBL499169
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL499169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWDYTNBJCKOHTA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
593.6
MW (Da)
7.34
ALogP
4
HBA
0
HBD
30.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.92 | 7.92 | 12.1 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.17 | 6.17 | 674.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.72 | 5.72 | 1921.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.32 | 5.32 | 4758.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 12.1 | nM | 7.92 | Displacement of [125I]nociceptin from human NOP expressed in CHO cells | 19147350 |
| Kappa-type opioid receptor | Ki | = | 674.0 | nM | 6.17 | Displacement of [125I]diprenorphine from human KOP expressed in CHO cells | 19147350 |
| Mu-type opioid receptor | Ki | = | 1921.0 | nM | 5.72 | Displacement of [125I]diprenorphine from human MOP expressed in CHO cells | 19147350 |
| Delta-type opioid receptor | Ki | = | 4758.0 | nM | 5.32 | 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