PSB-11


SMILES CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1
InChIKey RGDHRCXUMURWBJ-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 295.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.79 5.79 5.79 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 Guide to Pharmacology
A3 AA3R Human Adenosine A pKd 8.31 8.31 8.31 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.63 8.63 8.63 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.36 6.36 6.36 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 5.68 5.68 5.68 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.68 5.68 5.68 Guide to Pharmacology
A3 AA3R Mouse Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.68 5.68 5.68 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.36 6.36 6.36 ChEMBL
A3 AA3R Human Adenosine A pKi 5.46 8.11 8.64 ChEMBL
A3 AA3R Human Adenosine A pKd 8.31 8.31 8.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.97 6.97 6.97 ChEMBL
A1 AA1R Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database