CHEMBL3597083
SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |
InChIKey | ZZMLDIIIAOTFLN-POTQIHQISA-N |
Chemical properties
Hydrogen bond acceptors | 20 |
Hydrogen bond donors | 16 |
Rotatable bonds | 25 |
Molecular weight (Da) | 1009.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |