Compound Detail
CHEMBL2370387
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CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370387 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NETWGENZKBHHIR-USCONSEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
1.68
ALogP
5
HBA
4
HBD
119.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 6.97 | 6.97 | 106.1 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 4.72 | 4.72 | 19210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 106.1 | nM | 6.97 | Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE | 9301674 |
| Mu-type opioid receptor | Ki | = | 19210.0 | nM | 4.72 | Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO | 9301674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301674 | 10.1021/jm9607663 | Delta-type opioid receptor | 1 |
| 9301674 | 10.1021/jm9607663 | Mu-type opioid receptor | 1 |
| 9301674 | 10.1021/jm9607663 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine