CHEMBL114760


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCC(=O)O)cc3)[nH]c2n(CCC)c1=O
InChIKey UJHTWPCTUKHPBY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 443.2

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
A3 AA3R Rat Adenosine A pKi 4.23 4.23 4.23 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.34 6.34 6.34 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database