CHEMBL221206
SMILES | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O |
InChIKey | AVTOZWUEVSSUNP-KSVNGYGVSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 424.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.79 | 4.79 | 4.79 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |