CHEMBL3634006
SMILES | CC(NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1 |
InChIKey | OFEXDHUBLMOHCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 454.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 6.92 | 6.99 | 7.06 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 7.44 | 7.44 | 7.44 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.2 | 7.2 | 7.2 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.78 | 6.95 | 7.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |