Compound Detail
CHEMBL511795
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
NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL511795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXKIGKDMKQQKJN-GYHUNEDQSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.97
ALogP
4
HBA
3
HBD
91.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
IC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]naltrindole from human delta opioid receptor expressed in CH... | 19282177 |
| Delta-type opioid receptor | IC50 | = | 0.77 | nM | 9.11 | Antagonist activity against human delta opioid receptor expressed in CHO cells a... | 19282177 |
| Mu-type opioid receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells a... | 19282177 |
| Kappa-type opioid receptor | Ki | = | 47.0 | nM | 7.33 | Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO ce... | 19282177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282177 | 10.1016/j.bmcl.2009.02.078 | Delta-type opioid receptor | 4 |
| 19282177 | 10.1016/j.bmcl.2009.02.078 | Unchecked | 2 |
| 19282177 | 10.1016/j.bmcl.2009.02.078 | Kappa-type opioid receptor | 1 |
| 19282177 | 10.1016/j.bmcl.2009.02.078 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine