CHEMBL4791368


SMILES CCCNc1nc(C#Cc2ccc(F)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12
InChIKey FOXPDRZFJUMWPE-YWNJHDJRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 470.2

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 Mouse Adenosine A pKi 7.97 7.97 7.97 ChEMBL
A3 AA3R Human Adenosine A pKi 8.95 8.95 8.95 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A1 AA1R Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database