CHEMBL2113380
SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(CCCc2ccccc2)C1C5 |
InChIKey | PPEVMLHWEDYTPY-MZIILFHFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 476.2 |
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 | 7.63 | 7.63 | 7.63 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.12 | 8.12 | 8.12 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.67 | 7.67 | 7.67 | ChEMBL |