CHEMBL1935761
SMILES | CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 |
InChIKey | ZAZPRMLVZGANMF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 283.1 |
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 | Human | Adenosine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |