CHEMBL5195631
SMILES | Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c21 |
InChIKey | NITRYQLITNTCTJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 315.1 |
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 | pKd | 7.26 | 7.26 | 7.26 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.34 | 7.63 | 7.95 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 7.26 | 7.26 | 7.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 7.8 | 7.8 | 7.8 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 7.15 | 7.15 | 7.15 | ChEMBL |