CHEMBL117248


SMILES CSc1ccccc1NCC1=NCCN1
InChIKey YGIWTZGEYHABOR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 221.1

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 7.18 7.18 7.18 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.95 7.95 7.95 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.84 6.84 6.84 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.36 7.36 7.36 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 8.66 8.68 8.7 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 6.66 6.66 6.66 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 8.05 8.07 8.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.71 7.71 7.71 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.25 8.25 8.25 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.3 8.32 8.34 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 6.97 6.97 6.97 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.4 7.4 7.4 ChEMBL