Compound Detail
CHEMBL2370502
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CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2370502 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OEJIVAWEKRZHJP-ZYADHFCISA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
675.8
MW (Da)
3.03
ALogP
6
HBA
5
HBD
153.9
PSA (Ų)
0.15
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.39 | 8.39 | 4.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.235 | nM | Mus musculus |
| Ke | 0.233 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.393 | nM | 9.41 | Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET... | 10479285 |
| Mu-type opioid receptor | Ki | = | 4.08 | nM | 8.39 | Binding affinity for Opioid receptor mu 1 determined by displacing [3H]DAMGO fro... | 10479285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479285 | 10.1021/jm980724+ | Mu-type opioid receptor | 3 |
| 10479285 | 10.1021/jm980724+ | Mus musculus | 2 |
| 10479285 | 10.1021/jm980724+ | Delta-type opioid receptor | 2 |
| 10479285 | 10.1021/jm980724+ | Cavia porcellus | 1 |
| 10479285 | 10.1021/jm980724+ | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine