CHEMBL180561


SMILES CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1
InChIKey RJEWWPFKTYWTSS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 607.3

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
α1B ADA1B Human Adrenoceptors A pKi 6.43 6.46 6.48 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.72 8.73 8.73 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database