compound 11 [PMID: 15261275]
SMILES | O=C(Nc1ccc(cc1Cl)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C |
InChIKey | HHNAHVCOGFTMSQ-IRXDYDNUSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 438.0 |
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 |
OX2 | OX2R | Human | Orexin | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
OX1 | OX1R | Human | Orexin | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |