CHEMBL5202349
SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O |
InChIKey | WUWAIBYOOHQJEL-MRAWFPONSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 5 |
Rotatable bonds | 10 |
Molecular weight (Da) | 526.3 |
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 | Mouse | Adenosine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
A2A | AA2AR | 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 | 7.29 | 7.31 | 7.34 | ChEMBL |