| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 40 | No |
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) | 5.44 | 12.18 | -28.25 | 2 | 8 | 0 | 88 | 559.736 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000043384A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| TNFA-1-E | TNF-alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 0.4 | 0.33 | Binding ≤ 1μM |
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 50 | 0.26 | Binding ≤ 1μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 0.4 | 0.33 | Binding ≤ 10μM |
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 1300 | 0.21 | 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 |
