CHEMBL3928333


SMILES Cn1cc2c(nc(NCCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1
InChIKey GJQZTOMIXVZSNR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 729.2

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 5.25 5.68 6.11 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.76 5.9 6.04 ChEMBL
A1 AA1R Human Adenosine A pKi 5.02 5.02 5.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database