Compound Detail
CHEMBL2370979
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NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2370979 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RPLPVCQTWNDCKX-XJZSZEIDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
748.8
MW (Da)
1.12
ALogP
8
HBA
7
HBD
234.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 7.99 | 7.99 | 10.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.48 | 5.48 | 3280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 10.3 | nM | 7.99 | Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]D... | 11150177 |
| Mu-type opioid receptor | Ki | = | 3280.0 | nM | 5.48 | Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMG... | 11150177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150177 | 10.1021/jm000362h | Delta-type opioid receptor | 1 |
| 11150177 | 10.1021/jm000362h | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine