CHEMBL3426150


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1
InChIKey MMRBNOXAAQLWLU-SJLPKXTDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 399.2

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 6.12 6.19 6.25 ChEMBL
OX2 OX2R Human Orexin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.31 5.31 5.31 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.55 7.55 7.55 ChEMBL
OX1 OX1R Rat Orexin A pIC50 5.31 5.31 5.31 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.55 7.55 7.55 ChEMBL