CHEMBL582945


SMILES COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1
InChIKey JQGRSOUGXXQUQI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 624.4

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
D1 DRD1 Human Dopamine A pKi 6.84 6.84 6.84 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.88 6.88 6.88 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pIC50 4.49 4.49 4.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.7 6.7 6.7 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.8 5.8 5.8 ChEMBL