CHEMBL1194763


SMILES CC(C)Sc1ccccc1NCC1=NCCN1
InChIKey RREJZKOLYMUBNO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 249.1

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 6.77 6.77 6.77 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.63 5.63 5.63 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.78 6.78 6.78 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.65 6.65 6.65 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 7.21 7.21 7.21 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 7.55 7.55 7.55 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.3 8.3 8.3 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.38 6.38 6.38 ChEMBL