CHEMBL4792012
SMILES | CO[C@@]12CC[C@@H](N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5 |
InChIKey | QLMICPWFXLJOEI-HKENPCLDSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 579.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 9.36 | 9.36 | 9.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.81 | 8.81 | 8.81 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 9.8 | 9.8 | 9.8 | ChEMBL |