CHEMBL3797662
| SMILES | CN(Cc1ccc(Cl)cc1Cl)c1ccnc(N2CCC3(CCN(CC4CCCN4)C3)CC2)n1 |
| InChIKey | XTNGTZQKTPMVEY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 488.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR4 | CCR4 | Human | Chemokine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| CCR4 | CCR4 | Human | Chemokine | A | pKd | 6.0 | 6.0 | 6.0 | 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 | 6.8 | 6.8 | 6.8 | ChEMBL |