CHEMBL261482


SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O
InChIKey MYNRELUCFAQMFC-QRIDJOKKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 320.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
oxoglutarate OXGR1 Rat Oxoglutarate A pKi 7.02 7.02 7.02 ChEMBL
A2A AA2AR Guinea pig Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A3 AA3R Rat Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.87 7.9 7.92 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.23 7.6 8.19 ChEMBL
H1 HRH1 Human Histamine A pKi 5.1 5.1 5.1 ChEMBL
A3 AA3R Human Adenosine A pKi 6.75 6.8 6.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A1 AA1R Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pIC50 7.98 7.98 7.98 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.28 5.28 5.28 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.64 7.64 7.64 ChEMBL