17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4'-trimethylfluoro)benzamido]morphinan-oxalate
SMILES | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=C(C=C7)C(F)(F)F.C(=O)(C(=O)O)O |
InChIKey | DTUJQGYUMHBIEC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 4 |
Molecular weight (Da) | 604.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 8.0 | 8.3 | 8.6 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.2 | 9.34 | 9.47 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 5.0 | 7.17 | 9.33 | PDSP Ki database |
NOP | OPRX | Human | Opioid | A | pKi | 8.38 | 8.38 | 8.38 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |