CHEMBL17103


SMILES O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1
InChIKey LERWZBXJAOSNBN-DTQAZKPQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 490.3

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
A1 AA1R Human Adenosine A pKi 5.31 5.31 5.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.82 5.82 5.82 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database