CHEMBL5075422


SMILES Cn1cc(-c2cnc(N)n3nc(-c4ccco4)nc23)ccc1=O
InChIKey REBSCEKUSAWQBZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 308.1

Drug properties

Molecular type Unknown
Physiological/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 6.31 6.31 6.31 ChEMBL
A3 AA3R Human Adenosine A pKi 5.06 5.06 5.06 ChEMBL
A1 AA1R Human Adenosine A pKi 7.62 7.62 7.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.25 8.25 8.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.32 6.32 6.32 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.69 5.69 5.69 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.59 7.59 7.59 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.24 8.24 8.24 ChEMBL