CHEMBL4751777


SMILES COc1ccccc1OCCNCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIKey YOAVLBDWCVGCKZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 438.2

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
α1A ADA1A Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 10.46 10.48 10.51 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.17 6.21 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 9.43 9.6 9.86 ChEMBL