Sch.336
SMILES | COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)[C@@H](NS(=O)(=O)C)C |
InChIKey | NXODIUKWAVUFGF-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 539.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pIC50 | 5.97 | 5.97 | 5.97 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |