2-Chloroadenosine


SMILES C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl
InChIKey BIXYYZIIJIXVFW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 301.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1 A2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.03 8.1 8.17 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 7.2 7.2 7.2 PDSP Ki database
A3 AA3R Rat Adenosine A pKi 5.72 5.72 5.72 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database