CHEMBL375190
SMILES | Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | BARJSNBJYYNDDG-XKLVTHTNSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 2 |
Molecular weight (Da) | 367.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.38 | 7.73 | 7.8 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.98 | 6.35 | 6.44 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.19 | 6.37 | 6.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |