CHEMBL3613877


SMILES COc1ccccc1N1CCN(CCc2cn(-c3ccn4ncc(C=O)c4c3)nn2)CC1
InChIKey UHYDZQALANMGBP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 431.2

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 6.21 6.21 6.21 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.01 7.01 7.01 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.07 8.07 8.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.75 7.89 8.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.36 5.81 6.26 ChEMBL