CHEMBL41994


SMILES Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1
InChIKey HTUPLSKAYCKZRG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 453.3

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 5.85 5.94 6.05 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.3 8.23 8.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.58 5.69 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database