Rec 15/2615


SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
InChIKey ZZMFJJDBKSYGRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 495.2

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 7.8 8.65 9.5 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 9.35 9.35 9.35 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.12 8.12 8.12 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.99 7.99 7.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Bovine Adrenoceptors A pIC50 7.76 7.76 7.76 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 8.92 8.92 8.92 ChEMBL