CHEMBL5196916


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O
InChIKey HEQOMIVWTXTFCQ-QSNYBYPBSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 580.1

Drug properties

Molecular type Small molecule
Endogenous/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 5.63 5.63 5.63 ChEMBL
A3 AA3R Mouse Adenosine A pKi 9.4 9.4 9.4 ChEMBL
A3 AA3R Human Adenosine A pKi 8.25 8.25 8.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.09 5.09 5.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.44 7.45 7.46 ChEMBL