CHEMBL1171594


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1
InChIKey NWJKCXUCJNGHMP-UHFFFAOYSA-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
Endogenous/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 8.43 8.82 9.22 ChEMBL
OX2 OX2R Human Orexin A pKi 8.17 8.79 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.0 7.0 7.01 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.82 6.85 6.87 ChEMBL