CHEMBL5846429
| SMILES | CC1CNCC(c2sc(C(F)(F)F)cc2-c2cnc(C3CC3)nc2)N1C(=O)Cn1cnc(C(C)(C)C)n1 |
| InChIKey | NGYDOMSYHVNYTP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 533.2 |
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 | 6.17 | 7.25 | 8.34 | ChEMBL |