taranabant


SMILES N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl
InChIKey QLYKJCMUNUWAGO-GAJHUEQPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 515.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 5U09

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pKd 5.83 5.83 5.84 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 4.8 4.8 4.8 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database