2-chloroadenosine


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N
InChIKey BIXYYZIIJIXVFW-UUOKFMHZSA-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 A2A A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.2 5.4 5.6 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.7 6.75 6.8 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.6 4.8 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.17 8.17 8.17 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.72 5.72 5.72 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 7.12 7.12 7.12 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 7.74 8.38 8.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.75 6.83 6.92 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.59 4.63 4.67 ChEMBL
A3 AA3R Human Adenosine A pKi 4.94 6.48 7.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.03 8.07 8.17 ChEMBL
A1 AA1R Bovine Adenosine A pKi 7.6 7.65 7.7 ChEMBL
A3 AA3R Rat Adenosine A pKi 5.5 5.65 5.72 ChEMBL
A2A AA2AR Guinea pig Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.12 7.15 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP1 RXFP1 Human Relaxin family peptide A Potency 5.4 5.4 5.4 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.79 5.79 5.79 ChEMBL
A1 AA1R Rat Adenosine A pIC50 7.43 7.43 7.43 ChEMBL
A1 AA1R Guinea pig Adenosine A pEC50 6.72 6.72 6.72 ChEMBL
A2A AA2AR Guinea pig Adenosine A pEC50 5.1 5.1 5.1 ChEMBL