CHEMBL3799455


SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
InChIKey ROTBWFGDDNEYCJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 472.2

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
β1 ADRB1 Mouse Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.05 6.05 6.05 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.55 5.55 5.55 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.75 7.75 7.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.8 7.0 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.62 7.2 7.77 ChEMBL