CHEMBL3663554
SMILES | O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2 |
InChIKey | BNPVELSULLCXLP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 507.1 |
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 | Rat | Orexin | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |