CHEMBL3586442


SMILES Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(Cl)ccc4-n4nccn4)C[C@H]3C2)n1
InChIKey GEMAIVSIEYUQIM-IYBDPMFKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 423.2

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
OX2 OX2R Rat Orexin A pKi 7.29 7.29 7.29 ChEMBL
OX1 OX1R Human Orexin A pKi 5.33 5.33 5.33 ChEMBL
OX2 OX2R Human Orexin A pKi 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database