CHEMBL3741901


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5cccc(OC)c5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey MBXVZNZECNIJIR-BYZAXBFFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 496.2

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 Human Adenosine A pKi 7.12 7.12 7.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database