CHEMBL3314913
SMILES | CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12 |
InChIKey | ZZXIVHBZTITUIW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 329.1 |
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 | 7.61 | 7.61 | 7.61 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |