CHEMBL426523
SMILES | C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1 |
InChIKey | RGXBTFPNFYCKOY-QYAKYFNYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 335.2 |
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 | 7.51 | 7.51 | 7.52 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.21 | 9.22 | 9.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 7.29 | 7.54 | 7.8 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 8.49 | 8.71 | 8.92 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 9.27 | 9.27 | 9.28 | ChEMBL |