SB-649868
| SMILES | Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C |
| InChIKey | ZJXIUGNEAIHSBI-IBGZPJMESA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 477.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKi | 9.1 | 9.22 | 9.6 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKi | 8.9 | 9.35 | 9.8 | Guide to Pharmacology |
| OX2 | OX2R | Rat | Orexin | A | pKi | 10.11 | 10.11 | 10.11 | ChEMBL |
| OX1 | OX1R | Human | Orexin | A | pKi | 9.12 | 9.41 | 9.52 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 8.07 | 9.03 | 9.4 | ChEMBL |
| OX1 | OX1R | Rat | Orexin | A | pKi | 9.93 | 9.93 | 9.93 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKB | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKB | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
| OX1 | OX1R | Mouse | Orexin | A | pKB | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| OX1 | OX1R | Rat | Orexin | A | pKB | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
| OX2 | OX2R | Rat | Orexin | A | pKB | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| OX2 | OX2R | Mouse | Orexin | A | pKB | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |