CHEMBL5075285


SMILES CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc5ccc(/C=C/C6=[N+]7C(=Cc8ccc(-c9cccs9)n8[B-]7(F)F)C=C6)cc5)(CC3)CC4)nc2n(CCC)c1=O
InChIKey FKNRJXJOVAUZEB-SDNWHVSQSA-N

Chemical properties

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

Drug properties

Molecular type Na
Physiological/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 8.11 8.11 8.11 ChEMBL
A3 AA3R Human Adenosine A pKd 6.87 6.87 6.87 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.55 7.55 7.55 ChEMBL
A1 AA1R Human Adenosine A pKd 8.51 8.72 8.93 ChEMBL
A1 AA1R Human Adenosine A pKi 9.54 9.54 9.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database