CHEMBL145178


SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1
InChIKey IYHKQABMQSZQIQ-VUUJKMBOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 548.3

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 6.32 6.32 6.32 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.92 8.92 8.92 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database