| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 26 | Yes |
Popular Name: 4-[2-(6-ethyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinoline 4-[2-(6-ethyl-2-pyridyl)-5,6-dih…
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) | 4.05 | 10.46 | -12.69 | 0 | 4 | 0 | 44 | 340.43 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 10.76 | -26.75 | 1 | 4 | 1 | 45 | 341.438 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 620 | 0.33 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 71 | 0.38 | Binding ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 71 | 0.38 | Binding ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 500 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 620 | 0.33 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 71 | 0.38 | Binding ≤ 1μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 71 | 0.38 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 620 | 0.33 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 71 | 0.38 | Binding ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 71 | 0.38 | Binding ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 500 | 0.34 | 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 | |
| Nuclear Receptor transcription pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| 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 | |
| VEGFA-VEGFR2 Pathway |
