Chembl4472401
Chemical Properties
| SMILES | N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccoc1 |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight | 286.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | KBNKHXPSZAYJCI-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| A2B | AA2BR | Human | Adenosine | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |