Molecule Details
| InChIKey | NGJLAUMTWASOIM-SOFGYWHQSA-N |
|---|---|
| Compound Name | 3-{2-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-benzoylamino]-phenyl}-acrylic acid |
| Canonical SMILES | O=C(O)/C=C/c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.4 | IC50 | ChEMBL |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.0 | IC50 | ChEMBL |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.6 | IC50 | ChEMBL |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.3 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.2 | IC50 | ChEMBL |