CHEMBL607125
SMILES | Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5 |
InChIKey | HZDFHSBNWGNVNS-LDHJJSPKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 444.2 |
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 | 9.96 | 9.96 | 9.96 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.64 | 9.64 | 9.64 | 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 |
δ | OPRD | Human | Opioid | A | pEC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 10.4 | 10.4 | 10.4 | ChEMBL |