CHEMBL1084949


SMILES C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1
InChIKey BZCVKCOKZBGXCF-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 413.2

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 8.21 8.21 8.21 ChEMBL
OX2 OX2R Human Orexin A pKi 9.33 9.33 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.58 7.58 7.58 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.75 7.75 7.75 ChEMBL