CHEMBL3665683
SMILES | COc1ccccc1-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C(F)(F)F)c12 |
InChIKey | YGHKHDMXKRGCQA-HNNXBMFYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 484.2 |
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 |
OX2 | OX2R | Human | Orexin | A | pKd | 6.15 | 6.15 | 6.15 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 8.22 | 8.22 | 8.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |