CHEMBL3798754
SMILES | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1 |
InChIKey | WXADNPIZOQQAEO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 305.1 |
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 | 8.04 | 8.04 | 8.04 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |