CHEMBL3800341


SMILES COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1
InChIKey XFQRGEPJIICUBL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 476.2

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 7.1 7.1 7.1 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.26 7.26 7.26 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.02 6.02 6.02 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.55 8.55 8.55 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.46 8.46 8.46 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.77 7.84 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.96 7.28 8.59 ChEMBL