CHEMBL3335523


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey FDVZSKDDSYLYNX-YRIIQKNPSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 13
Molecular weight (Da) 677.3

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
α2A ADA2A Human Adrenoceptors A pKd 8.99 8.99 8.99 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.3 8.48 8.65 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.64 7.64 7.64 ChEMBL
A1 AA1R Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 8.23 8.23 8.23 ChEMBL