| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | No |
Popular Name: 3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1S)-1-(4-fluorophenyl)ethyl…
| 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) | 1.42 | 5.38 | -57.92 | 2 | 5 | 0 | 73 | 312.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.91 | -8.87 | 1 | 5 | 0 | 71 | 311.316 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.33 | -63.45 | 2 | 5 | 0 | 73 | 312.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 4.54 | -15.29 | 1 | 5 | 0 | 75 | 311.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 4.47 | -17.94 | 1 | 5 | 0 | 75 | 311.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.86 | -10.53 | 1 | 5 | 0 | 71 | 311.316 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAPK2-1-E | MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8200 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAPK2_HUMAN | P49137 | MAP Kinase-activated Protein Kinase 2, Human | 8200 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CREB phosphorylation | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Regulation of HSF1-mediated heat shock response | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Tristetraprolin (TTP) destabilizes mRNA | |
| VEGFA-VEGFR2 Pathway |
