CHEMBL210969
| SMILES | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(CC)c1=O |
| InChIKey | FHNRQFQBRJWCQY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 553.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A2B | AA2BR | Human | Adenosine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pIC50 | 6.69 | 6.69 | 6.69 | ChEMBL |