CHEMBL4455344


SMILES Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1
InChIKey XZDRDRRVIDEBHK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 343.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.83 5.83 5.83 ChEMBL
A3 AA3R Human Adenosine A pKi 7.76 7.76 7.76 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.87 5.87 5.87 ChEMBL
A1 AA1R Human Adenosine A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.56 6.56 6.56 ChEMBL