compound 14a [PMID: 18812259]


SMILES Clc1ccc(nc1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccc2
InChIKey XOVYESUODKGPJX-PIIMJCKOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 382.2

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 8.4 8.4 8.4 ChEMBL
A3 AA3R Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
A1 AA1R Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database