CHEMBL1770169


SMILES CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)nn1
InChIKey TYYMLDWFIXNBON-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 4
Rotatable bonds 19
Molecular weight (Da) 711.3

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 5.77 5.77 5.77 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
A3 AA3R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database