Molecule Details
| InChIKey | CQHDXEWKDCKMHF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[1-(4-Methoxyphenyl)-3-(2-oxochromen-7-yl)pyrrolo[2,3-b]pyridin-5-yl]benzoic acid |
| Canonical SMILES | COc1ccc(-n2cc(-c3ccc4ccc(=O)oc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06124 | PTPN11 | Homo sapiens | Human | PF00017 PF00102 | 7.5 | IC50 | ChEMBL;BindingDB |
| P29350 | PTPN6 | Homo sapiens | Human | PF00017 PF00102 | 6.9 | IC50 | ChEMBL;BindingDB |
| P35236 | PTPN7 | Homo sapiens | Human | PF00102 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q05209 | PTPN12 | Homo sapiens | Human | PF00102 | 6.9 | IC50 | ChEMBL;BindingDB |
| P67775 | PPP2CA | Homo sapiens | Human | PF00149 | 6.7 | IC50 | ChEMBL |
| P18031 | PTPN1 | Homo sapiens | Human | PF00102 | 6.4 | IC50 | ChEMBL;BindingDB |