CHEMBL4071338


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey OMBBIIJKWNGXQS-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 457.1

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 Rat Adenosine A pKi 8.57 8.57 8.57 ChEMBL
A3 AA3R Human Adenosine A pKi 9.41 9.41 9.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.53 7.53 7.53 ChEMBL
A1 AA1R Human Adenosine A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.23 6.23 6.23 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.66 8.66 8.66 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.17 8.17 8.17 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.23 7.23 7.23 ChEMBL