CHEMBL2391907


SMILES CCNC(=O)[C@H]1O[C@@H](N2CNc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey YGWIAZMCWHFUNU-RQXXJAGISA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 10
Molecular weight (Da) 501.2

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 5.8 6.48 7.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.1 7.41 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.89 6.89 6.89 ChEMBL