CHEMBL145072


SMILES COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1
InChIKey JHAYORQLJMSTOO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 618.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.89 6.89 6.89 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 10.0 10.0 10.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database