CHEMBL91091


SMILES N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1
InChIKey QCNCXPPJUJSUHJ-XMMPIXPASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 504.2

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 6.01 6.01 6.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.8 9.8 9.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.62 5.62 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database