CHEMBL1221682


SMILES O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1
InChIKey LMKMYJGZBLESNG-XPKDYRNWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 362.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.75 7.76 7.77 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.1 9.16 9.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.08 6.08 6.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 9.52 9.52 9.52 ChEMBL