CHEMBL88628


SMILES CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2
InChIKey GJSIQLZDGMIVKC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 606.3

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 5.75 5.75 5.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.24 6.24 6.24 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.79 7.79 7.79 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.68 5.68 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database