CHEMBL4159127
SMILES | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)O[C@@H](CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |
InChIKey | UYMUWOSGPSGFAU-VNNZRSTGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 626.2 |
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 | 8.01 | 8.01 | 8.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pIC50 | 9.66 | 9.66 | 9.66 | ChEMBL |