CHEMBL3343244
SMILES | COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)N(C)c2ccccc2)cc1OC |
InChIKey | XJDXEKYHORPOOC-BKMJKUGQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 417.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 5.12 | 5.12 | 5.12 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |