CHEMBL4086325


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey RSWOHMDZHKBLBZ-MEQWQQMJSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 447.1

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 8.88 8.88 8.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.18 6.18 6.18 ChEMBL
A1 AA1R Human Adenosine A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.59 5.59 5.59 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.28 7.28 7.28 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.22 7.22 7.22 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.47 6.47 6.47 ChEMBL