CHEMBL3670616
SMILES | CCOc1ccc2ccccc2c1C(=O)N1CCC2CN(c3nc(C)cc(C)n3)C2C1 |
InChIKey | FMDLLJUHVSZUIY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 416.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |