CHEMBL3667195
SMILES | C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1 |
InChIKey | PBXQPVQDVLHYHN-RYHYHUEASA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 5 |
Molecular weight (Da) | 542.3 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.01 | 7.01 | 7.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |