CHEMBL1094143
SMILES | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 |
InChIKey | ACNFYYUXBQGWQL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 405.2 |
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 | 8.52 | 8.52 | 8.52 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.74 | 6.74 | 6.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |