CHEMBL1933288


SMILES C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21
InChIKey ZHMXXVNQAFCXKK-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 458.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 6.04 6.04 6.04 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.74 5.74 5.74 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.85 5.85 5.85 ChEMBL