Compound Detail
CHEMBL282518
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=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)C4Cc5ccc(O)c6c5C2(CCN4CC2CC2)[C@H]3O6)c1
Basic Information
| ChEMBL ID | CHEMBL282518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDUSMYFDADSZOJ-FWJDJVLASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
640.6
MW (Da)
5.43
ALogP
6
HBA
3
HBD
87.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 10.72 | 10.57 | 0.0 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.82 | 7.82 | 15.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.019 | nM | 10.72 | Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a... | 7731019 |
| Delta-type opioid receptor | Ki | = | 0.038 | nM | 10.42 | Tested for binding affinity against delta2 opioid receptor using [3H]DSLET as a ... | 7731019 |
| Kappa-type opioid receptor | Ki | = | 8.8 | nM | 8.06 | Tested for binding affinity against Opioid receptor kappa 1 using [3H]U-69593 as... | 7731019 |
| Mu-type opioid receptor | Ki | = | 15.3 | nM | 7.82 | Tested for binding affinity against mu opioid receptor using [3H]DAMGO as a radi... | 7731019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731019 | 10.1021/jm00008a012 | Delta-type opioid receptor | 7 |
| 7731019 | 10.1021/jm00008a012 | Mus musculus | 4 |
| 7731019 | 10.1021/jm00008a012 | Mu-type opioid receptor | 2 |
| 7731019 | 10.1021/jm00008a012 | Kappa-type opioid receptor | 2 |
| 7731019 | 10.1021/jm00008a012 | Opioid receptors; mu & delta | 2 |
| 7731019 | 10.1021/jm00008a012 | Opioid receptors; delta & kappa | 2 |
Data from ChEMBL 36 via Core Engine