CHEMBL164686
SMILES | Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 |
InChIKey | MHDGNCOMJIVSOQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 442.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.13 | 8.63 | 9.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 8.18 | 8.18 | 8.18 | ChEMBL |