SB-408124
| SMILES | O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C |
| InChIKey | JTARFZSNUAGHRB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 356.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Structure pdb | 6TQ9 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKi | 7.25 | 7.25 | 7.25 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKi | 5.35 | 5.35 | 5.35 | Guide to Pharmacology |
| OX1 | OX1R | Rat | Orexin | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| OX1 | OX1R | Human | Orexin | A | pKi | 7.6 | 7.66 | 7.72 | ChEMBL |
| OX1 | OX1R | Human | Orexin | A | pKd | 7.57 | 7.57 | 7.57 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 5.68 | 5.88 | 6.1 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKB | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKB | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |