CHEMBL1945039


SMILES COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1
InChIKey VKCKAMBPNXKGHL-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 479.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 9.3 9.3 9.3 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.7 6.7 6.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 6.9 6.9 6.9 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.2 7.2 7.2 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 7.3 7.3 7.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.2 9.2 9.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.2 8.2 8.2 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.0 6.0 6.0 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.6 6.6 6.6 ChEMBL