ciforadenant


SMILES Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1
InChIKey KURQKNMKCGYWRJ-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 407.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 8.47 8.47 8.47 ChEMBL
A1 AA1R Human Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A3 AA3R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 5.47 6.9 7.77 ChEMBL