CHEMBL96467


SMILES C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1
InChIKey DTYAFBJXWWLRMA-QMHKHESXSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 475.2

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
α1D ADA1D Rat Adrenoceptors A pKi 7.21 7.21 7.21 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.92 6.92 6.92 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.44 9.44 9.44 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.88 6.9 6.91 ChEMBL
H1 HRH1 Human Histamine A pKi 7.27 7.27 7.27 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.64 9.74 9.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database