CHEMBL517417


SMILES N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1
InChIKey LMKCBJGIOMTJNM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 317.1

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 6.2 6.2 6.2 ChEMBL
A3 AA3R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A1 AA1R Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database