CHEMBL1178866
SMILES | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(NC(=O)CNC(=O)C/N=C(S)\N=C2/C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)cc1 |
InChIKey | IGRPDUCSNQIEKL-VSEIJVIDSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 6 |
Rotatable bonds | 12 |
Molecular weight (Da) | 908.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |