CHEMBL4076632
SMILES | O=C(Nc1ccccc1)N1C[C@H]2CC34CCC1C2C31CCN(CC2CC2)C4Cc2ccc(O)cc21 |
InChIKey | SBLPBMOQBNOLRN-MPZSKYPWSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 469.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 9.58 | 9.58 | 9.58 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.47 | 9.47 | 9.47 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.26 | 9.26 | 9.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.82 | 8.82 | 8.82 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |