CHEMBL4072009
SMILES | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 |
InChIKey | INHVHVABDDQLDR-IYRWRCLLSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 6 |
Rotatable bonds | 15 |
Molecular weight (Da) | 815.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 5.87 | 5.88 | 5.89 | ChEMBL |