CHEMBL3663444
SMILES | Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1 |
InChIKey | XWHUFCUQGJFXRV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 404.2 |
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 | 5.51 | 5.51 | 5.51 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |