CHEMBL4797068
SMILES | O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@@H]1C[C@H]2Nc1cnc(C(F)(F)F)cn1 |
InChIKey | FIOLWNKABYNAOW-XYPHTWIQSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 458.1 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |