4aR,9aS-(+)-cis-4a-Ethyl-2-phenylethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ol
SMILES | CCC12CCN(CC1OC3=C2C=C(C=C3)O)CCC4=CC=CC=C4 |
InChIKey | GZBURIYLLVULIF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 323.2 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 6.7 | 7.93 | 9.15 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.57 | 6.35 | 7.12 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 5.63 | 6.34 | 7.06 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |