CHEMBL5394229


SMILES COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1
InChIKey VGUQUIYJFQJLRU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 520.3

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
D5 DRD5 Human Dopamine A pKi 6.46 6.46 6.46 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.09 8.09 8.09 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.8 7.8 7.8 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.28 7.36 7.44 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 5.96 6.87 7.77 ChEMBL