CHEMBL90184


SMILES O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1
InChIKey JMHJPWHXTFNZBY-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 540.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.57 6.57 6.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database