Compound Detail
CHEMBL285377
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
O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2
Basic Information
| ChEMBL ID | CHEMBL285377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZYITGJRSITIGE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
6.19
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.82 | 7.82 | 15.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.72 | 7.72 | 19.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.84 | 6.84 | 146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 15.3 | nM | 7.82 | Competitive binding affinity against transfected HEK293 cells expressing human O... | 10753470 |
| Mu-type opioid receptor | Ki | = | 19.2 | nM | 7.72 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Kappa-type opioid receptor | Ki | = | 52.0 | nM | 7.28 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Delta-type opioid receptor | Ki | = | 146.0 | nM | 6.84 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753470 | 10.1021/jm991129q | Nociceptin receptor | 1 |
| 10753470 | 10.1021/jm991129q | Mu-type opioid receptor | 1 |
| 10753470 | 10.1021/jm991129q | Kappa-type opioid receptor | 1 |
| 10753470 | 10.1021/jm991129q | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine