CHEMBL5206687
SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | IPCOKIQQQVGBQN-FUWISXPPSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 560.1 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKd | 6.56 | 6.56 | 6.56 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.13 | 6.13 | 6.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pEC50 | 7.97 | 7.97 | 7.97 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |