CHEMBL3663553
| SMILES | O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2 |
| InChIKey | OKDCFYLYBFCPIX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 447.1 |
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 | Rat | Orexin | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
| OX1 | OX1R | Human | Orexin | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |