CHEMBL5080679


SMILES CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCCNC(=O)c2ccc(C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c1=O
InChIKey FITGZTYFRGZHAG-LICLKQGHSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
Endogenous/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 pKd 7.26 7.26 7.26 ChEMBL
A3 AA3R Human Adenosine A pKd 7.23 7.23 7.23 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.3 7.3 7.3 ChEMBL
A1 AA1R Human Adenosine A pKi 5.96 7.62 8.85 ChEMBL
A1 AA1R Human Adenosine A pKd 7.88 8.19 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database