CHEMBL145353


SMILES COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1
InChIKey MFXXQERUKWXMIU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 552.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.16 6.16 6.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database