CHEMBL47437
SMILES | CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1 |
InChIKey | FORRQBUVICVFDG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 436.1 |
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 | Rat | Adenosine | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |