Molecule Details
| InChIKey | IHJCKBWPCNFLBM-BOPFTXTBSA-N |
|---|---|
| Compound Name | ethyl (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enoate |
| Canonical SMILES | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL |