CHEMBL3298023


SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1
InChIKey HJMLYMYAWJITOM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 666.3

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
α1A ADA1A Human Adrenoceptors A pKi 9.04 9.04 9.04 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.19 8.19 8.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.12 9.12 9.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database