CHEMBL3260828


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1
InChIKey JCHZZFRXFBKQHC-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 447.2

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 9.52 9.52 9.52 ChEMBL
OX2 OX2R Human Orexin A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.43 7.43 7.43 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.46 7.46 7.46 ChEMBL