In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 22 | Yes |
Popular Name: 3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole 3-(4-Fluorophenyl)-2-(6-Methylpy…
None
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) | 3.40 | 9.66 | -10.7 | 0 | 3 | 0 | 31 | 293.345 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 8.69e-03 g/l | DrugBank-experimental |
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 | 1320 | 0.37 | Binding ≤ 10μM |
THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 175 | 0.43 | Binding ≤ 10μM |
Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 339 | 0.41 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 175 | 0.43 | Binding ≤ 1μM |
TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 1320 | 0.37 | Binding ≤ 10μM |
THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 175 | 0.43 | Binding ≤ 10μM |
Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 339 | 0.41 | Functional ≤ 10μM |
Description | Species |
---|---|
Downregulation of TGF-beta receptor signaling | |
Nuclear Receptor transcription pathway | |
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 |