CHEMBL77901


SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
InChIKey JTNOVHSABZCNCD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 399.2

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 7.3 7.3 7.3 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.64 8.64 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database