CHEMBL127828
SMILES | CN1c2ccccc2C(c2ccccc2F)=NCC1CCNC(=O)c1ccsc1 |
InChIKey | AVUSYTRJVKZPGP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 407.1 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.16 | 7.49 | 7.82 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.43 | 9.43 | 9.43 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |