CHEMBL3659181
SMILES | O=C(c1ccccc1-c1cccs1)N1C2CCC1C(COc1ccc(F)cn1)C2 |
InChIKey | JIEFEDOEWSOKJT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 408.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKi | 6.75 | 7.85 | 8.52 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.47 | 7.7 | 8.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |