CHEMBL3663488
SMILES | CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2 |
InChIKey | NGYNPBUGQHTGCA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 420.2 |
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 | Rat | Orexin | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |