CHEMBL72724


SMILES CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1
InChIKey GBSLCSDIFSTSOZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 289.1

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 5.69 5.69 5.69 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.78 5.78 5.78 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.22 6.22 6.22 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 8.22 8.22 8.22 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 7.36 7.36 7.36 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.1 8.1 8.1 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 7.98 7.98 7.98 ChEMBL