CHEMBL4633020
SMILES | Cc1ccccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 |
InChIKey | XZQBGMUKLLYUDN-QJMCPCMJSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 584.3 |
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 | 7.01 | 7.01 | 7.01 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 7.84 | 7.84 | 7.84 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |