AT-076
SMILES | Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O |
InChIKey | LGYDWJJZDCXEOV-JWQCQUIFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 437.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.71 | 7.71 | 7.71 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.94 | 8.94 | 8.94 | Guide to Pharmacology |
NOP | OPRX | Human | Opioid | A | pKi | 8.76 | 8.76 | 8.76 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 8.78 | 8.78 | 8.78 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |