CHEMBL3086307
SMILES | CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2 |
InChIKey | CIWUQSYYOVTHJB-JXHRLWIKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 395.2 |
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 | 8.8 | 8.8 | 8.8 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.29 | 7.29 | 7.29 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |