CHEMBL3426137


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIKey FOEWIXNBXKVERV-NVXWUHKLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 388.2

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 6.08 6.08 6.09 ChEMBL
OX2 OX2R Human Orexin A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.42 5.46 5.5 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.89 7.97 8.05 ChEMBL
OX1 OX1R Rat Orexin A pIC50 5.44 5.44 5.44 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.92 7.92 7.92 ChEMBL