CHEMBL124444


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
InChIKey SIIDHHZTVIEQJK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 407.2

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 7.27 7.27 7.27 ChEMBL
D3 DRD3 Rat Dopamine A pKi 8.8 8.8 8.8 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.59 5.59 5.59 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.44 7.44 7.44 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.06 7.06 7.06 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.52 7.52 7.52 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.67 8.67 8.67 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.7 5.83 5.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.95 8.98 9.04 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.77 6.95 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.82 8.82 8.82 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.62 8.62 8.62 ChEMBL