CHEMBL3976317
| SMILES | Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C5CCNCC5)cc4[nH]3)C[C@H]2C)n1 |
| InChIKey | XNCHVTQEAKBTIL-OAHLLOKOSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 587.2 |
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 |
| CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 6.51 | 7.96 | 8.7 | ChEMBL |