CHEMBL3426148


SMILES C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIKey PDBSVYYBSKJJSG-DENIHFKCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 439.2

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 6.44 6.44 6.44 ChEMBL
OX2 OX2R Human Orexin A pKi 8.42 8.42 8.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.62 5.62 5.62 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.35 7.35 7.35 ChEMBL