CHEMBL5203813
SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\F)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(C)C |
InChIKey | SFVRUVTYOGSOAR-GUOSAUPISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 15 |
Molecular weight (Da) | 583.3 |
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 | 6.59 | 6.59 | 6.59 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 4.75 | 4.75 | 4.75 | ChEMBL |