XCC


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O
InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 386.2

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
A2B AA2BR Human Adenosine A pKi 7.3 7.3 7.3 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.12 4.12 4.12 ChEMBL
A1 AA1R Bovine Adenosine A pKd 7.77 7.77 7.77 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.65 5.66 5.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.2 7.24 7.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A3 AA3R Human Adenosine A pKi 5.4 5.41 5.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.07 6.14 6.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database