Molecule Details
| InChIKey | HHUNTZLKFUBXAE-HKUYNNGSSA-N |
|---|---|
| Compound Name | (S)-3-(4-((S)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl)benzamido)-2-(thiophene-2-sulfonamido)propanoic acid |
| Canonical SMILES | O=C(NC[C@H](NS(=O)(=O)c1cccs1)C(=O)O)c1ccc(N2CCC[C@H](NC3=NCCCN3)C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.08 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 9.4 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 9.4 | IC50 | ChEMBL |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.4 | IC50 | ChEMBL |