CHEMBL72768


SMILES CSc1ccc(F)cc1NCC1=NCCN1
InChIKey BCCMUPQZPVRDCD-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
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 7.39 7.39 7.39 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.21 8.21 8.21 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.48 6.48 6.48 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.94 6.94 6.94 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 8.73 8.73 8.73 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 7.66 7.66 7.66 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.25 8.25 8.25 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.64 8.64 8.64 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.6 7.6 7.6 ChEMBL