daridorexant
| SMILES | Cc1c(ccc2c1nc([nH]2)[C@@]1(CCCN1C(=O)c1c(ccc(c1)OC)n1nccn1)C)Cl |
| InChIKey | NBGABHGMJVIVBW-QHCPKHFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 450.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 6TP3 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| OX1 | OX1R | Human | Orexin | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKB | 8.8 | 9.05 | 9.3 | Guide to Pharmacology |
| OX1 | OX1R | Rat | Orexin | A | pKB | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| OX2 | OX2R | Rat | Orexin | A | pKB | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| OX2 | OX2R | Dog | Orexin | A | pKB | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKB | 8.9 | 9.0 | 9.1 | Guide to Pharmacology |