CHEMBL3799578
| SMILES | Fc1ccc(CNc2ccnc(N3CCC4(CCN(CC5CCCN5)C4)CC3)n2)c(F)c1 |
| InChIKey | FSDWNJPKSHXSJP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 442.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR4 | CCR4 | Human | Chemokine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| CCR4 | CCR4 | Human | Chemokine | A | pEC50 | 7.8 | 7.8 | 7.8 | ChEMBL |