CHEMBL257209
| SMILES | CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(CCCS(=O)(=O)CC)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 |
| InChIKey | ZFCOKVZINIOAKB-HSZRJFAPSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 645.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 7.75 | 8.18 | 8.62 | ChEMBL |