CHEMBL3920093
SMILES | Cc1ccc(-n2nccn2)c(C(=O)N2CC(C)COC2Cn2cc(-c3ccc(F)cn3)cn2)c1 |
InChIKey | MPEBTPDHFLWMMX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 461.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pIC50 | 8.08 | 8.59 | 9.1 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 8.11 | 8.48 | 8.85 | ChEMBL |