CHEMBL102859


SMILES CCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CC)c1=O
InChIKey ALAWEPCLEBECQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 276.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pKi 7.72 7.72 7.72 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.13 7.13 7.13 ChEMBL
A3 AA3R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Human Adenosine A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database