RO5166017


SMILES CCN(c1ccccc1)C[C@H]1COC(=N1)N
InChIKey PPONHQQJLWPUPH-JTQLQIEISA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 219.1

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
A2B AA2BR Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database