CHEMBL313251


SMILES CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1
InChIKey GUTLHNWEBBMLCC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 593.3

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 6.01 6.01 6.01 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.76 5.76 5.76 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.7 6.7 6.7 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.5 6.5 6.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database