CHEMBL3669557
SMILES | O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2 |
InChIKey | LQTAWFWESCZMLO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 413.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 6.03 | 6.03 | 6.03 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.08 | 7.08 | 7.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |