CHEMBL3613873


SMILES COc1ccccc1N1CCN(CCCc2cn(-c3ccn4nccc4c3)nn2)CC1
InChIKey JYBLRFDZVBZKOY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 417.2

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 5.77 5.77 5.77 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.43 7.43 7.43 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.08 7.08 7.08 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.11 7.11 7.11 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.85 6.97 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.01 6.01 6.01 ChEMBL