CHEMBL3667596
| SMILES | Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 |
| InChIKey | BUIZFRQUHUNXMD-IBGZPJMESA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 436.1 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX2 | OX2R | Human | Orexin | A | pIC50 | 6.71 | 6.71 | 6.71 | ChEMBL |
| OX1 | OX1R | Human | Orexin | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |