CHEMBL328658


SMILES CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1
InChIKey WWSQNSZOZLXYNN-RUZDIDTESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 493.2

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
α1A ADA1A Human Adrenoceptors A pKi 9.6 9.6 9.6 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database