CHEMBL114975


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)OCN(CC(=O)O)C(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n(CCC)c1=O
InChIKey WHOFFZQVECYNTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 781.3

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
A3 AA3R Rat Adenosine A pKi 4.66 4.66 4.66 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database