CHEMBL297685


SMILES Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21
InChIKey LPAMCBPWGRTOCP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 351.2

Drug properties

Molecular type Small molecule
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 pKi 5.96 5.96 5.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.01 8.01 8.01 ChEMBL
A1 AA1R Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 6.38 6.38 6.38 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.2 7.2 7.2 ChEMBL