CHEMBL3965024
| SMILES | Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2noc(-c3cccc(F)c3C)n2)c1 |
| InChIKey | XODWTMJEFQLUSV-IBGZPJMESA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 418.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pIC50 | 6.18 | 6.18 | 6.18 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |