CHEMBL400782


SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21
InChIKey PKAKDOUFCOQHOJ-RAPCHXAISA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 385.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Bovine Adenosine A pKi 7.89 7.89 7.89 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.35 5.35 5.35 ChEMBL
A3 AA3R Human Adenosine A pKi 4.72 4.72 4.72 ChEMBL
A1 AA1R Human Adenosine A pKi 7.81 7.81 7.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database