CHEMBL78874


SMILES CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1
InChIKey WWXDGSCJMHTQQR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 475.3

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.72 9.72 9.72 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.84 8.84 8.84 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.6 9.6 9.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.6 8.6 8.6 ChEMBL