CHEMBL27899


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1
InChIKey ZUFDUHYRGVUXON-OBEQGSJMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 621.4

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
α1B ADA1B Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database