CHEMBL5200403


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O
InChIKey FNCKMERGILGRME-ZVWUKZRXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 554.2

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
A1 AA1R Mouse Adenosine A pKi 5.29 5.29 5.29 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.81 8.81 8.81 ChEMBL
A3 AA3R Human Adenosine A pKi 9.25 9.25 9.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database