Molecule Details
| InChIKey | MHIVVIRGAGOSGU-RMKNXTFCSA-N |
|---|---|
| Compound Name | (E)-4-(3-(3-Nitrophenyl)-3-oxoprop-1-en-1-yl)benzoic acid |
| Canonical SMILES | O=C(O)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.18 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q05209 | PTPN12 | Homo sapiens | Human | PF00102 | 6.0 | Ki | ChEMBL;BindingDB |
| A0A045ISB3 | iphP | Mycobacterium tuberculosis | Pathogen | PF13350 | 6.4 | Ki | ChEMBL |
| P96830 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF13350 | 6.4 | Ki | BindingDB | |
| P9WIA1 | ptpA | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF01451 | 6.1 | Ki | ChEMBL;BindingDB |
| P15273 | yopH | Yersinia enterocolitica | Pathogen | PF00102 PF09013 | 6.0 | Ki | ChEMBL;BindingDB |