| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 26 | Yes |
Popular Name: SB 525334 SB 525334
Find On: PubMed — Wikipedia — Google
CAS Numbers: 356559-20-1 , [356559-20-1]
6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline
6-[2-TERT-BUTYL-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]-QUINOXALINE
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.76 | 8.58 | -14.86 | 1 | 5 | 0 | 67 | 343.434 | 3 | ↓ |
| Ref Reference (pH 7) | 3.76 | 8.46 | -12.08 | 1 | 5 | 0 | 67 | 343.434 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.79 | -31.55 | 2 | 5 | 1 | 69 | 344.442 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.79 | -31.68 | 2 | 5 | 1 | 69 | 344.442 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | TGF-beta/Smad | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 162 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 162 | 0.37 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 162 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of TGF-beta receptor signaling | |
| SMAD2/3 MH2 Domain Mutants in Cancer | |
| SMAD2/3 Phosphorylation Motif Mutants in Cancer | |
| TGF-beta receptor signaling activates SMADs | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| TGFBR1 KD Mutants in Cancer | |
| TGFBR1 LBD Mutants in Cancer | |
| TGFBR2 Kinase Domain Mutants in Cancer |
