CHEMBL1382003
| SMILES | Cc1sc2nc(SCCN(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 |
| InChIKey | WIQVPSDSSXAQHC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 439.1 |
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 |
| CXCR5 | CXCR5 | Human | Chemokine | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 4.72 | 4.72 | 4.72 | ChEMBL |
| apelin | APJ | Human | Apelin | A | pIC50 | 4.51 | 4.51 | 4.51 | ChEMBL |