CHEMBL4861092


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey ZFCWTCGMLFOWCC-RQXXJAGISA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 440.2

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
A2B AA2BR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A3 AA3R Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.15 5.15 5.15 ChEMBL
A1 AA1R Human Adenosine A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.79 7.79 7.79 ChEMBL
A2A AA2AR Human Adenosine A pIC50 4.58 4.58 4.58 ChEMBL