ONO-DI-004
SMILES | CCCC[C@@H](C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)C1CCC(CC1)C(=O)O)O)C |
InChIKey | KWRRIFVHVJWXPU-HVCOQRSISA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 422.3 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.45 | 8.45 | 8.45 | Guide to Pharmacology |
OX1 | OX1R | Human | Orexin | A | pKi | 7.5 | 7.6 | 7.7 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.3 | 8.45 | 8.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |