JNJ-10397049
| SMILES | O=C(Nc1ccc(cc1Br)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C |
| InChIKey | RBKIJGLHFFQHBE-IRXDYDNUSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 482.0 |
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 | 5.3 | 5.55 | 5.8 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKi | 7.7 | 8.05 | 8.4 | Guide to Pharmacology |
| OX1 | OX1R | Human | Orexin | A | pKi | 5.5 | 6.08 | 8.3 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pKi | 5.5 | 7.72 | 8.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pKB | 5.25 | 5.25 | 5.25 | Guide to Pharmacology |
| OX2 | OX2R | Human | Orexin | A | pKB | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |