Molecule Details
| InChIKey | HJAKTQAHKIJTKU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Methyl-1-[5-(3-methyl-isoxazol-5-yl)-2-thiophen-2-yl-pyrimidin-4-ylamino]-pyrrole-2,5-dione |
| Canonical SMILES | CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2-c2cc(C)no2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P01100 | FOS | Homo sapiens | Human | PF00170 | 6.5 | IC50 | ChEMBL |
| P05412 | JUN | Homo sapiens | Human | PF00170 PF03957 | 6.5 | IC50 | ChEMBL;BindingDB |
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 6.5 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 6.5 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 6.5 | IC50 | ChEMBL |