CHEMBL391580
SMILES | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(=O)O |
InChIKey | OOJZMMQHNUJUPF-FKBYEOEOSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 17 |
Molecular weight (Da) | 600.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.28 | 8.28 | 8.28 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.85 | 6.85 | 6.85 | ChEMBL |