Molecule Details
| InChIKey | JRMHUYUPXMIDSI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[4-[2-(4-Tert-butylphenyl)ethynyl]anilino]-2-oxo-acetic acid |
| Canonical SMILES | CC(C)(C)c1ccc(C#Cc2ccc(NC(=O)C(=O)O)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.58 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P96830 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF13350 | 7.6 | IC50 | BindingDB | |
| A0A045ISB3 | iphP | Mycobacterium tuberculosis | Pathogen | PF13350 | 7.6 | IC50 | ChEMBL |
| I6WXK4 | ptpB | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF13350 | 7.6 | IC50 | ChEMBL;BindingDB |