MK-3697
| SMILES | COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC |
| InChIKey | VSOUDUXMPUHJEU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 447.1 |
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 |
| OX1 | OX1R | Human | Orexin | A | pKi | 5.470000000000001 | 5.47 | 5.47 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKi | 8.98 | 8.98 | 8.98 | Guide to Pharmacology |
| OX1 | OX1R | Mouse | Orexin | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| OX1 | OX1R | Rat | Orexin | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| OX2 | OX2R | Rat | Orexin | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| OX2 | OX2R | Dog | Orexin | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| OX2 | OX2R | Mouse | Orexin | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| OX1 | E2R2A3 | Dog | Orexin | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
| OX1 | OX1R | Human | Orexin | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 8.96 | 8.99 | 9.02 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |