CHEMBL72441


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

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 235.1

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 6.91 6.91 6.91 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.7 6.7 6.7 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.76 7.76 7.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 9.38 9.38 9.38 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.05 8.05 8.05 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 9.96 9.96 9.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 9.04 9.04 9.04 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.6 7.6 7.6 ChEMBL