CHEMBL424908


SMILES CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O
InChIKey ZAPNHSIRIXRZCP-ZRZAMGCNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 459.2

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 Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A1 AA1R Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database