CHEMBL3669519


SMILES COc1cccc(-n2cncc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1
InChIKey PDSZTVUWMRKGKW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 482.2

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 5.89 5.89 5.89 ChEMBL
OX1 OX1R Human Orexin A pKd 5.42 5.42 5.42 ChEMBL
OX2 OX2R Human Orexin A pKd 6.25 6.25 6.25 ChEMBL
OX2 OX2R Human Orexin A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database