| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2008 | 21 | Yes |
Popular Name: 4-(3-Pyridin-2-yl-1H-pyrazol-4-yl)quinoline 4-(3-Pyridin-2-yl-1H-pyrazol-4-y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 396129-53-6 , [396129-53-6]
4-(3-(Pyridin-2-yl)-1H-pyrazol-4-yl)quinoline
4-[(3-Pyridin-2-yl)-1H-pyrazol-4-yl)]quinoline
4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]-quinoline
4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]?-quinoline
4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]-quinoline
| 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) | 2.81 | 7.33 | -10.83 | 1 | 4 | 0 | 54 | 272.311 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.73e-02 g/l | DrugBank-experimental |
| Purity | 97% | Matrix Scientific |
| MP | > 230° (dec.) | Fluorochem |
| MP | >230° (dec.) | Oakwood Chemical |
| MP | >230°(dec) | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
| Target | TGF-beta/Smad | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL2-1-E | Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1870 | 0.38 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 740 | 0.41 | Binding ≤ 10μM |
| MLTK-1-E | Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.39 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 59 | 0.48 | Binding ≤ 10μM |
| TGFR2-1-E | TGF-beta Receptor Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.43 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 89 | 0.47 | Functional ≤ 10μM |
| TGFR2-1-E | TGF-beta Receptor Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 81 | 0.47 | Functional ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 81 | 0.47 | Functional ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 60 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 740 | 0.41 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 27 | 0.50 | Binding ≤ 1μM |
| TGFR2_HUMAN | P37173 | TGF-beta Receptor Type II, Human | 400 | 0.43 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 740 | 0.41 | Binding ≤ 10μM |
| MLTK_HUMAN | Q9NYL2 | Mixed Lineage Kinase 7, Human | 1400 | 0.39 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 27 | 0.50 | Binding ≤ 10μM |
| TGFR2_HUMAN | P37173 | TGF-beta Receptor Type II, Human | 400 | 0.43 | Binding ≤ 10μM |
| ABL2_HUMAN | P42684 | Tyrosine-protein Kinase ABL2, Human | 1870 | 0.38 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 60 | 0.48 | Functional ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 81 | 0.47 | Functional ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 40 | 0.49 | Functional ≤ 10μM |
| TGFR2_HUMAN | P37173 | TGF-beta Receptor Type II, Human | 81 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| CDO in myogenesis | |
| Downregulation of TGF-beta receptor signaling | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Role of Abl in Robo-Slit 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 | |
| TGFBR2 MSI Frameshift Mutants in Cancer | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.