CHEMBL381540


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC#N)cc4)cc3)cc2n(CCC)c1=O
InChIKey JAOIGADLYQLIKJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 499.2

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
A2B AA2BR Human Adenosine A pKi 7.95 7.95 7.95 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database