Molecule Details
| InChIKey | FZHVLPHRKGHOPX-JXFKEZNVSA-N |
|---|---|
| Compound Name | US12325701, Example 13. |
| Canonical SMILES | C[C@H]1CN(C2CCN(c3ncccc3F)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15782 | CHI3L2 | Homo sapiens | Human | PF00704 | 7.5 | IC50 | ChEMBL |
| P36222 | CHI3L1 | Homo sapiens | Human | PF00704 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9BZP6 | CHIA | Homo sapiens | Human | PF01607 PF00704 | 6.2 | IC50 | ChEMBL |
| Q13231 | CHIT1 | Homo sapiens | Human | PF01607 PF00704 | 6.1 | IC50 | ChEMBL |