CHEMBL3669022


SMILES Cc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1
InChIKey JTVBTTLMGGYEPR-XJKSGUPXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 446.2

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 6.77 6.96 7.16 ChEMBL
OX1 OX1R Human Orexin A pKi 6.78 6.87 6.95 ChEMBL
OX2 OX2R Human Orexin A pKi 5.12 5.12 5.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database