CHEMBL49137


SMILES Cc1c(NC2=NCCN2)ccc2nccnc12
InChIKey QZUXRMOPAGPTIY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 227.1

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
α2B ADA2B Rat Adrenoceptors A pKi 7.77 7.77 7.77 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.48 5.48 5.48 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.55 7.56 7.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.83 5.83 5.83 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.14 8.51 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pEC50 7.11 7.11 7.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 7.85 7.85 7.85 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.92 8.92 8.92 ChEMBL