CHEMBL4127395
SMILES | Cc1nc2c(N)nc(NCc3cccs3)nc2s1 |
InChIKey | FAQMPXZLGHDHHK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 277.0 |
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 | Human | Adenosine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |