CHEMBL3799427


SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
InChIKey PGSGTPNUOJTSEM-XMMPIXPASA-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 6.28 6.28 6.28 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.0 6.0 6.0 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.33 7.33 7.33 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.18 6.18 6.18 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.72 5.74 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 5.58 5.88 6.19 ChEMBL