Compound Detail
CHEMBL2008608
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
CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL2008608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSPWSCFMVXPMNL-QFUIWUJGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
5.09
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.57 | 6.57 | 271.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 4.5 | nM | 8.35 | Inhibition of radioligand [3H]DAMGO binding to rat brain mu receptor | 7932540 |
| Delta-type opioid receptor | Ki | = | 271.0 | nM | 6.57 | Inhibition of radioligand [3H]DADLE binding to rat brain delta receptor | 7932540 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain | 7932540 |
| Muscarinic acetylcholine receptor | Ki | = | 18600.0 | nM | 4.73 | Inhibition of radioligand [3H]NMS binding to muscarinic receptor of rat brain | 7932540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932540 | 10.1021/jm00045a022 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7932540 | 10.1021/jm00045a022 | Glutamate NMDA receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Muscarinic acetylcholine receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Mu-type opioid receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Delta-type opioid receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Kappa-type opioid receptor | 1 |
| 7932540 | 10.1021/jm00045a022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine