CHEMBL3235265


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1
InChIKey AEIYXQGHBFFFPX-CTNGQTDRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 414.2

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 9.25 9.25 9.25 ChEMBL
OX2 OX2R Human Orexin A pKi 9.28 9.28 9.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 8.2 8.2 8.2 ChEMBL
OX2 OX2R Human Orexin A pIC50 8.2 8.2 8.2 ChEMBL