| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 19 | Yes |
Popular Name: 2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine 2-(4-(4-Fluorophenyl)-1H-pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Number: 607738-00-1
| 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) | 2.79 | 7.41 | -9.15 | 1 | 3 | 0 | 42 | 253.28 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 7.56 | -28.67 | 2 | 3 | 1 | 43 | 254.288 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 7.46 | -31.74 | 2 | 3 | 1 | 43 | 254.288 | 2 | ↓ |
| 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 | 70 | 0.53 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 41 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 70 | 0.53 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 70 | 0.53 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 139 | 0.51 | Functional ≤ 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 |
