CHEMBL3800468


SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
InChIKey PNROEQYQIZJINW-RUZDIDTESA-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 6.52 6.52 6.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.04 5.04 5.04 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.17 5.17 5.17 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.1 6.1 6.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.54 5.59 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 6.08 6.19 6.29 ChEMBL