Compound Detail
CHEMBL270984
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Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL270984 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SGYUWRWFTZOXFP-MYOMABOUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
779.9
MW (Da)
3.62
ALogP
9
HBA
7
HBD
220.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.72
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 10.72 | 10.72 | 0.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.56 | 8.56 | 2.8 | 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 | Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat... | 18311909 |
| Mu-type opioid receptor | Ki | = | 2.75 | nM | 8.56 | Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2... | 18311909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311909 | 10.1021/jm7014765 | Delta-type opioid receptor | 2 |
| 18311909 | 10.1021/jm7014765 | Mu-type opioid receptor | 2 |
| 18311909 | 10.1021/jm7014765 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine