CHEMBL182379


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
InChIKey BAGJQDYWVPCFCU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 533.1

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 Pig Dopamine A pKi 6.38 6.38 6.38 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.47 6.9 7.34 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.05 6.05 6.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.85 9.0 9.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.48 7.48 7.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.23 7.4 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.64 7.64 7.64 ChEMBL