CHEMBL3260830


SMILES Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12
InChIKey ROCGDCJOZCLRBC-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 432.2

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 8.74 8.74 8.74 ChEMBL
OX2 OX2R Human Orexin A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.71 6.71 6.71 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.68 6.68 6.68 ChEMBL