CHEMBL414055


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey LODSCYWXMGXOOZ-ZQJYZEHFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 21
Molecular weight (Da) 924.4

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 5.99 6.39 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.69 5.69 5.69 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.57 8.57 8.57 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.47 8.47 8.47 ChEMBL
A2A AA2AR Human Adenosine A pEC50 6.76 6.76 6.76 ChEMBL