CHEMBL3414937


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey KCFSAWYFAYDKQD-QMWPFBOUSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 367.1

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
A3 AA3R Rat Adenosine A pKi 6.67 6.67 6.67 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
A3 AA3R Human Adenosine A pKi 7.86 8.3 8.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.59 7.13 7.68 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 7.71 9.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.27 6.27 6.27 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.42 8.42 8.42 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.7 7.7 7.7 ChEMBL