CHEMBL3235258


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cnccc3O)CC[C@H]2C)c1
InChIKey AFSMIXILBLVITN-MSOLQXFVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 401.2

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 6.06 6.06 6.06 ChEMBL
OX2 OX2R Human Orexin A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.41 5.41 5.41 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.28 7.28 7.28 ChEMBL