DPDPE
| SMILES | CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O |
| InChIKey | MCMMCRYPQBNCPH-DVKRWUGUSA-N |
Chemical properties
| Hydrogen bond acceptors | None |
| Hydrogen bond donors | None |
| Rotatable bonds | None |
| Molecular weight (Da) |
Drug properties
| Molecular type | Protein |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Bovine | Opioid | A | pKi | 6.34 | 6.71 | 7.09 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.53 | 8.53 | 8.53 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 9.05 | 9.05 | 9.05 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 5.55 | 5.94 | 6.21 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 8.4 | 8.7 | 9.3 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Mouse | Opioid | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pIC50 | 6.21 | 8.33 | 8.8 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pEC50 | 8.39 | 8.49 | 8.69 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pIC50 | 5.43 | 6.11 | 6.42 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.14 | 8.31 | 9.85 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pEC50 | 7.8 | 8.68 | 9.85 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |