CHEMBL2112162
SMILES | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCO)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O |
InChIKey | INPIRGBAZWMHDG-LIGBSTKKSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 5 |
Rotatable bonds | 5 |
Molecular weight (Da) | 482.1 |
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 | Mouse | Adenosine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
A3 | AA3R | Rat | Adenosine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |