CHEMBL216200


SMILES CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21
InChIKey SYGGDNIWKSBCDC-JEACLXLTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 441.3

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
A1 AA1R Rat Adenosine A pKi 7.98 7.98 7.98 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.75 4.75 4.75 ChEMBL
A1 AA1R Human Adenosine A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database