CHEMBL375965


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey CUIKOXSLXYWHKH-NKMABPTMSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 20
Molecular weight (Da) 883.3

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
A1 AA1R Rat Adenosine A pKd 6.05 6.05 6.05 ChEMBL
A1 AA1R Human Adenosine A pKd 6.23 6.44 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 5.9 6.6 7.3 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.29 8.29 8.29 ChEMBL