CHEMBL1172519


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1
InChIKey HOYBQVJXWRSLLT-FXAWDEMLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 457.2

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 8.0 8.0 8.0 ChEMBL
OX2 OX2R Human Orexin A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.98 6.98 6.98 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.43 6.43 6.43 ChEMBL