CHEMBL5201013
SMILES | COc1cccc(O[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |
InChIKey | BXIXAVMJHWVWHC-NKYRPOHVSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 457.2 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKd | 6.58 | 6.58 | 6.58 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.9 | 6.9 | 6.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 9.28 | 9.28 | 9.28 | ChEMBL |