CHEMBL368880


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey IDGHDXRMAPTNIO-OGPXJPENSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 512.2

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
A2B AA2BR Human Adenosine A pKi 5.93 5.93 5.93 ChEMBL
A3 AA3R Human Adenosine A pKi 6.89 6.89 6.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.42 7.42 7.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.17 6.17 6.17 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.85 8.85 8.85 ChEMBL