CHEMBL3977480
| SMILES | COc1cc(C)c(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4cccs4)c23)nc1OC |
| InChIKey | GDSCVDPVLSCSCV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 501.1 |
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 |
| OX2 | OX2R | Human | Orexin | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |