CHEMBL574700


SMILES COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1
InChIKey ACWOUFNDQFUXQN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 610.4

Drug properties

Molecular type Small molecule
Endogenous/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 6.26 6.26 6.26 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.98 6.98 6.98 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pIC50 4.7 4.7 4.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.48 6.48 6.48 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.32 6.32 6.32 ChEMBL