CHEMBL27809


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ISZYFLVJJCPYGN-NFPQMFLLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 527.0

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
A2A AA2AR Rat Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.39 4.39 4.39 ChEMBL
A3 AA3R Human Adenosine A pKi 8.65 8.67 8.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A1 AA1R Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.17 6.17 6.17 ChEMBL
A3 AA3R Human Adenosine A pEC50 9.17 9.17 9.17 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.85 6.85 6.85 ChEMBL