CHEMBL4597899
SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CN3CCc4ccccc4C3)cc21 |
InChIKey | VMCHNLMJWZCXLB-LMSSTIIKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 484.3 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 10.52 | 10.52 | 10.52 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pEC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 7.05 | 7.05 | 7.05 | ChEMBL |