CHEMBL5186981
SMILES | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | VKBVKOURJLIITC-CPIJZORTSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 461.1 |
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 | 6.22 | 6.22 | 6.22 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKd | 6.58 | 6.58 | 6.58 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.22 | 6.22 | 6.22 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 4.86 | 4.86 | 4.86 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 8.19 | 8.19 | 8.19 | ChEMBL |