CHEMBL125916


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIKey IRVKXZUMTITJIC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 406.2

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
D1 DRD1 Rat Dopamine A pKi 6.01 6.01 6.01 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.18 6.18 6.18 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.32 6.32 6.32 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.93 7.93 7.93 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.49 9.49 9.49 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.43 7.43 7.43 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database