CHEMBL70692


SMILES CSc1c(F)cccc1NCC1=NCCN1
InChIKey QJUBRJKAGWBYDR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 239.1

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
α1B ADA1B Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.4 5.4 5.4 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.83 6.83 6.83 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 7.07 7.07 7.07 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 7.8 7.8 7.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.11 8.11 8.11 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 7.47 7.47 7.47 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.0 7.0 7.0 ChEMBL