CHEMBL3669553
SMILES | Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)o1 |
InChIKey | MKKQACCARCNABB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 467.2 |
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 | 7.03 | 7.03 | 7.03 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 6.64 | 6.64 | 6.64 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.2 | 7.2 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |