CHEMBL3586441


SMILES COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1
InChIKey JEGXPQYWMVONEI-CALCHBBNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 419.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pKi 7.42 7.42 7.42 ChEMBL
OX1 OX1R Human Orexin A pKi 5.24 5.24 5.24 ChEMBL
OX2 OX2R Human Orexin A pKi 7.34 7.34 7.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database