CHEMBL1190038


SMILES CCSc1ccccc1NCC1=NCCN1
InChIKey MZDQVKPPFWIZIL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 235.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 7.12 7.12 7.12 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.79 5.79 5.79 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.57 6.57 6.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.36 7.36 7.36 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 7.86 7.86 7.86 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 7.29 7.29 7.29 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 7.55 7.55 7.55 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.47 8.47 8.47 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.6 6.6 6.6 ChEMBL