CHEMBL3087717
SMILES | Nc1ncnc2c1nc(-c1ccco1)n2CCO |
InChIKey | MSXARAZRKUHRJO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 245.1 |
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 | 5.41 | 5.41 | 5.41 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |