CHEMBL4108929
SMILES | NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2 |
InChIKey | VLOXZPHCPUPDBK-DNQXCXABSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 405.2 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.38 | 6.38 | 6.38 | ChEMBL |