CHEMBL323579


SMILES CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1
InChIKey FLMJQBHJNDEDJH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 666.4

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 6.3 6.48 6.63 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.86 6.12 6.29 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.04 6.04 6.04 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.23 9.06 9.4 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database