CHEMBL3642135


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-n1nccn1
InChIKey TZVZAOSVMDBVLR-GDBMZVCRSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 406.2

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 5.75 5.75 5.75 ChEMBL
OX2 OX2R Human Orexin A pKi 8.47 8.47 8.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Rat Orexin A pIC50 5.24 5.24 5.24 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.64 7.64 7.64 ChEMBL