Molecule Details
| InChIKey | KBGATAWDHCZFQR-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-2-phenylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester |
| Canonical SMILES | CCOC(=O)c1cnc(Sc2ccccc2)nc1NN1C(=O)C=C(C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P01100 | FOS | Homo sapiens | Human | PF00170 | 6.0 | IC50 | ChEMBL |
| P05412 | JUN | Homo sapiens | Human | PF00170 PF03957 | 6.0 | IC50 | ChEMBL;BindingDB |
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 6.0 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 6.0 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 6.0 | IC50 | ChEMBL |