CHEMBL3800218
SMILES | Nc1nc(-c2cccs2)nc2cn(-c3ccccc3O)nc12 |
InChIKey | CKHUVQWKDJVMTD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 309.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |