CHEMBL3973097


SMILES O=C(c1nccc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIKey FEAVKDCRHLEQNS-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 409.1

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 pKd 8.32 8.32 8.32 ChEMBL
OX1 OX1R Human Orexin A pKi 8.28 8.28 8.28 ChEMBL
OX2 OX2R Human Orexin A pKi 5.67 5.67 5.67 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Rat Orexin A pIC50 7.8 7.8 7.8 ChEMBL