CHEMBL228738
SMILES | O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 |
InChIKey | ZAXWEHCCAIIFBR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 422.2 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 4.65 | 4.65 | 4.65 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |