CHEMBL242644


SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1
InChIKey YPXXSRYKHFAWBF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 460.2

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
D4 DRD4 Human Dopamine A pKi 5.83 5.83 5.83 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.41 5.41 5.41 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.44 7.44 7.44 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.17 8.42 8.55 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.96 6.25 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.89 7.89 7.89 ChEMBL