Compound Detail
CHEMBL101694
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=C1[C@@H]2Oc3c(O)ccc4c3C23CCN(CC2CC2)C(C4)[C@]3(O)C[C@]12CCc1ccccc1C2
Basic Information
| ChEMBL ID | CHEMBL101694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALNSWJGDWVXQW-MVSWAQHNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.31
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL2858 | Ki | 9.42 | 9.42 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.38 | nM | 9.42 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 from mouse brain membran... | 9301669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301669 | 10.1021/jm970283e | Delta-type opioid receptor | 2 |
| 9301669 | 10.1021/jm970283e | Mu-type opioid receptor | 2 |
| 9301669 | 10.1021/jm970283e | Kappa-type opioid receptor | 2 |
| 9301669 | 10.1021/jm970283e | Mus musculus | 1 |
| 9301669 | 10.1021/jm970283e | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine