Molecule Details
| InChIKey | XXVHVXVVXGOJQZ-YLSAJCSVSA-N |
|---|---|
| Compound Name | (4S,11E)-18-chloro-2-oxo-14-oxa-3,7,9-triazatricyclo[13.3.1.16,9]icosa-1(18),6(20),7,11,15(19),16-hexaene-4-carboxylic acid |
| Canonical SMILES | O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17301 | ITGA2 | Homo sapiens | Human | PF01839 PF20805 PF20806 PF00092 | 8.4 | IC50 | ChEMBL;BindingDB |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.5 | IC50 | ChEMBL |
| P56199 | ITGA1 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00092 | 7.5 | IC50 | ChEMBL;BindingDB |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.1 | IC50 | ChEMBL;BindingDB |