naldemedine
SMILES | O=C(C1=C(O)[C@H]2[C@]34[C@](C1)(O)[C@@H](Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C |
InChIKey | AXQACEQYCPKDMV-RZAWKFBISA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 570.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 9.04 | 9.04 | 9.04 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 8.95 | 8.95 | 8.95 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
μ | OPRM | Human | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
δ | OPRD | Human | Opioid | A | pKi | 9.04 | 9.04 | 9.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |