CHEMBL2204025
SMILES | Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)O[C@@H]1CO[C@@H]2CO[C@H]4N21 |
InChIKey | RLOWKBDVAAZKDU-BNELJYNGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 454.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |