CHEMBL315914


SMILES CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1
InChIKey CACGBSVXIXSELL-PKUSAGTQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 577.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.57 6.57 6.57 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.04 6.04 6.04 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.86 8.86 8.86 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.5 6.5 6.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database