CHEMBL312871


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 592.3

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 5.93 5.93 5.93 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.14 6.14 6.14 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.06 8.06 8.06 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database