| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 39 | Yes |
Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[2-(4-pyridyl)ethoxy]-1-naphthyl]urea 1-[5-tert-butyl-2-(p-tolyl)pyraz…
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) | 7.07 | 15.92 | -15.56 | 2 | 7 | 0 | 81 | 519.649 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 7.07 | 16.19 | -43.7 | 3 | 7 | 1 | 82 | 520.657 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.31 | Binding ≤ 10μM |
| TNFA-1-E | TNF-alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 820 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 0.104 | 0.36 | Binding ≤ 1μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 0.1 | 0.36 | Binding ≤ 1μM |
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 20 | 0.28 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 0.104 | 0.36 | Binding ≤ 10μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 0.1 | 0.36 | Binding ≤ 10μM |
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 20 | 0.28 | Binding ≤ 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 | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| TNF signaling | |
| Transcriptional regulation of white adipocyte differentiation | |
| VEGFA-VEGFR2 Pathway |
