CHEMBL5089483


SMILES CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O
InChIKey PRYJQIVBGGDTIP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 699.3

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
A2B AA2BR Human Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A3 AA3R Human Adenosine A pKi 8.31 8.31 8.31 ChEMBL
A1 AA1R Human Adenosine A pKi 7.24 7.81 8.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database