CHEMBL42640


SMILES CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1
InChIKey QUEBXCYEKJNKLS-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 492.2

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 6.48 6.48 6.48 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database