CHEMBL3670539
SMILES | O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1 |
InChIKey | ARQKAHQKXFVRJJ-UGSOOPFHSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 446.1 |
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 |
OX2 | OX2R | Human | Orexin | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |