CHEMBL381750
SMILES | O=C(/C=C/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3 |
InChIKey | JMSLPWMQABBNIP-SYTGOYKNSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 728.5 |
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 | 7.55 | 7.55 | 7.55 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.72 | 7.72 | 7.72 | ChEMBL |