CHEMBL4098714


SMILES Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1
InChIKey ULVHKKXUBBTJCS-DYESRHJHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 412.2

Drug properties

Molecular type Small molecule
Endogenous/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 5.79 5.79 5.79 ChEMBL
OX2 OX2R Human Orexin A pKi 7.78 7.78 7.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.35 5.35 5.35 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.16 7.16 7.16 ChEMBL