CHEMBL90086


SMILES CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O
InChIKey LKCYPDONQAJLQQ-RUZDIDTESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 511.2

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 8.1 8.1 8.1 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 10.17 10.17 10.17 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database