CHEMBL3663494
SMILES | Cc1cc(C)nc(NC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1 |
InChIKey | IREFCVBKUUTDAV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 415.2 |
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 | Rat | Orexin | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |