CHEMBL3414947


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey HLHAFTISHRHDPF-PFHKOEEOSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 495.1

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 Human Adenosine A pKi 8.33 8.33 8.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A1 AA1R Human Adenosine A pKi 8.78 8.78 8.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.96 5.96 5.96 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.43 7.43 7.43 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.54 7.54 7.54 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.19 7.19 7.19 ChEMBL