Molecule Details
| InChIKey | SAYGKHKXGCPTLX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tpca-1 |
| Canonical SMILES | NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17058 |
|---|---|
| Drug Name | TPCA-1 |
| CAS Number | 507475-17-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | TPCA-1 is a selective inhibitor of human IκB kinase 2 (IKK-2).[A253152] |
Categories: Enzyme Inhibitors Protein Kinase Inhibitors Sulfur Compounds
Cross-references: BindingDB: 50230828 ChEBI: 91403 CHEMBL257167 ChemSpider: 8079440 PDB: NM7 ZINC: ZINC000003960707
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | Kd | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | pIC50 | TTD_MultiTarget |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P19525 | EIF2AK2 | Homo sapiens | Human | PF00035 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |