TCS-OX2-29
| SMILES | COc1cc2CN(CCc2cc1OC)C(=O)[C@H](C(C)(C)C)NCc1ccncc1 |
| InChIKey | COFVZFLCAOUMJT-OAQYLSRUSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 397.2 |
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 |
| OX2 | OX2R | Human | Orexin | A | pKi | 6.9 | 7.2 | 7.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX2 | OX2R | Human | Orexin | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |