CHEMBL5092788


SMILES C#CCCCCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2
InChIKey MNFYVRVTDSODIK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 15
Molecular weight (Da) 682.3

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 7.45 7.45 7.45 ChEMBL
A3 AA3R Human Adenosine A pKi 7.36 7.36 7.36 ChEMBL
A1 AA1R Human Adenosine A pKi 8.03 8.55 9.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.15 7.15 7.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database