CHEMBL4436917
SMILES | CCSC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | AGGLMBTXRADTOW-HAXDFEGKSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 433.2 |
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 | 8.45 | 8.45 | 8.45 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |