CHEMBL2113301
SMILES | COc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 |
InChIKey | DJZCBLWYODYYBU-NXBHRNTPSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 530.3 |
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 | Human | Opioid | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.79 | 7.36 | 7.93 | ChEMBL |