CHEMBL468469
SMILES | Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 |
InChIKey | JLVNEHKORQFVQJ-SBCNTATESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 343.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.25 | 9.25 | 9.25 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.68 | 9.68 | 9.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |