CHEMBL3800400


SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
InChIKey PNROEQYQIZJINW-VWLOTQADSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 488.2

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 8.24 8.24 8.24 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.48 5.48 5.48 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.96 4.96 4.96 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.32 9.32 9.32 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.24 5.37 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 7.66 7.94 8.21 ChEMBL