CHEMBL3800303


SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey PGSGTPNUOJTSEM-DEOSSOPVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 437.2

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 7.07 7.07 7.07 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.85 6.85 6.85 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.37 6.37 6.37 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.75 7.75 7.75 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.21 7.21 7.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.96 7.06 7.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 5.7 6.05 6.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.29 6.28 7.0 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.7 6.7 6.7 ChEMBL