CHEMBL77618


SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1
InChIKey NRYJUVLALBJESR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 509.2

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
α1A ADA1A Human Adrenoceptors A pKi 9.36 9.36 9.36 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.84 8.84 8.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database