CHEMBL2024150


SMILES COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1
InChIKey YCUUXSHUOIOSFF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 4
Rotatable bonds 26
Molecular weight (Da) 1056.4

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
A3 AA3R Human Adenosine A pKd 8.47 8.47 8.47 ChEMBL
A1 AA1R Human Adenosine A pKd 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database