CHEMBL3698903
SMILES | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C3CCCC2CCC3)c1=O |
InChIKey | QJMXTKVQIOTTEI-PVHYDFKYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 421.2 |
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 | 5.71 | 5.71 | 5.71 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |