CHEMBL3353914


SMILES COc1ccccc1N1CCN(CCCCCc2cn(-c3ccc(SC)cc3)nn2)CC1
InChIKey IXQUACGJMOXDCP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 451.2

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
D4 DRD4 Human Dopamine A pKi 6.64 6.64 6.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.64 8.64 8.64 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.41 8.41 8.41 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database