Compound Detail
CHEMBL278289
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CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL278289 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XDQRBLYRUNYSPJ-MWHXNUDOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
829.0
MW (Da)
-0.97
ALogP
11
HBA
11
HBD
301.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.98 | 5.98 | 1047.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 3.3 | nM | 8.48 | Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 | 1313878 |
| Mu-type opioid receptor | Ki | = | 1047.0 | nM | 5.98 | Inhibition of [3H]DAGO binding to rat Opioid receptor mu 1 | 1313878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1313878 | 10.1021/jm00085a009 | Delta-type opioid receptor | 1 |
| 1313878 | 10.1021/jm00085a009 | Mu-type opioid receptor | 1 |
| 1313878 | 10.1021/jm00085a009 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine