CHEMBL3407784
SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O |
InChIKey | RVLAHZAHALVQKF-AQPYCOETSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 458.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Mouse | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.16 | 8.55 | 9.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Dog | Adenosine | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pEC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pIC50 | 4.44 | 4.44 | 4.44 | ChEMBL |