CHEMBL358590


SMILES CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1
InChIKey PFFBXNUVJKJZBG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 597.3

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
α1B ADA1B Human Adrenoceptors A pKi 5.83 5.83 5.84 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.65 5.67 5.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.24 7.81 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database