CHEMBL3892874
SMILES | O=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CC[C@H]1c1nnc(-c2ccccc2OC(F)(F)F)[nH]1 |
InChIKey | DXOIVXMYAPKKGN-HNNXBMFYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 523.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |