Molecule Details
| InChIKey | SGWKNXDQAJXYHU-VQHVLOKHSA-N |
|---|---|
| Compound Name | 2-(2-Carboxy-vinyl)-5-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-benzoylamino]-benzoic acid methyl ester |
| Canonical SMILES | COC(=O)c1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1/C=C/C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.2 | IC50 | ChEMBL |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.2 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.1 | IC50 | ChEMBL |