CHEMBL127400


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
InChIKey INDXRHKLECFZHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 418.2

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
α2A ADA2A Rat Adrenoceptors A pKi 7.12 7.12 7.12 ChEMBL
D3 DRD3 Rat Dopamine A pKi 9.31 9.31 9.31 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.83 5.83 5.83 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.24 8.24 8.24 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.12 7.12 7.12 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.51 8.51 8.51 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.83 8.83 8.83 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.56 7.56 7.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 8.6 8.6 8.6 ChEMBL