Compound Detail
CHEMBL2370384
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUXLEAJGNKFQRS-LBTAZEDMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
1.42
ALogP
5
HBA
4
HBD
133.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.54 | 9.54 | 0.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.24 | 5.24 | 5810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.285 | nM | 9.54 | Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE | 9301674 |
| Mu-type opioid receptor | Ki | = | 5810.0 | nM | 5.24 | 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 | 3 |
| 9301674 | 10.1021/jm9607663 | Mu-type opioid receptor | 3 |
| 9301674 | 10.1021/jm9607663 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine