CHEMBL3669486
| SMILES | Cc1cccc(-c2sc(C)nc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 |
| InChIKey | ZRMPAGQAVPAOQU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 497.2 |
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 |
| OX1 | OX1R | Human | Orexin | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |