Compound Detail
CHEMBL5281114
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
Basic Information
| ChEMBL ID | CHEMBL5281114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJWAKRAXKHJLAE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
3.19
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.62 | 7.62 | 24.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.0 | 6.0 | 1009.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.79 | 5.79 | 1635.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 24.2 | nM | 7.62 | Displacement of [3H] DAMGO from mouse MOR expressed in CHO cell membrane incubat... | 34152138 |
| Kappa-type opioid receptor | Ki | = | 1009.0 | nM | 6.0 | Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes incuba... | 34152138 |
| Delta-type opioid receptor | Ki | = | 1635.0 | nM | 5.79 | Displacement of [3H]-DPDPE from human DOR expressed in CHO cell membranes measur... | 34152138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34152138 | 10.1021/acs.jmedchem.1c00722 | Unchecked | 2 |
| 34152138 | 10.1021/acs.jmedchem.1c00722 | Mu-type opioid receptor | 1 |
| 34152138 | 10.1021/acs.jmedchem.1c00722 | Delta-type opioid receptor | 1 |
| 34152138 | 10.1021/acs.jmedchem.1c00722 | Kappa-type opioid receptor | 1 |
| 34152138 | 10.1021/acs.jmedchem.1c00722 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine