CHEMBL3640038
| SMILES | Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)nc1 |
| InChIKey | GHMOZDOVUXPZTP-DOTOQJQBSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 377.2 |
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 | 6.92 | 6.92 | 6.92 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| OX1 | OX1R | Rat | Orexin | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |