CHEMBL379125


SMILES COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
InChIKey LAVWIAQCYKFCMG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 448.1

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 5.19 5.19 5.19 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.48 9.48 9.48 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.22 6.22 6.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 9.28 9.28 9.28 ChEMBL