CHEMBL611091
SMILES | CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | NNAFGTHUVTVGBZ-OFRRTHGGSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 562.2 |
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 | Human | Adenosine | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |