Molecule Details
| InChIKey | JTURLWVYGOCZPN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one |
| Canonical SMILES | O=C1Nc2cc(C(F)(F)F)ccc2Sc2nc(Cl)ncc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05412 | JUN | Homo sapiens | Human | PF00170 PF03957 | 7.0 | IC50 | ChEMBL;BindingDB |
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 6.7 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 6.7 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 6.7 | IC50 | ChEMBL |