CHEMBL1789502


SMILES N=c1ccc2c(-c3ccc(C(=O)NCCNC(=O)COc4ccc(CCCn5ncc6c5nc(N)n5nc(-c7ccco7)nc65)cc4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O
InChIKey HHKJUHAIZLHJQI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 8
Rotatable bonds 16
Molecular weight (Da) 991.2

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
A2A AA2AR Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.3 7.5 7.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database