| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 23 | No |
Popular Name: 3-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione 3-[[(1S)-2-hydroxy-1-phenyl-ethy…
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| 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) | 0.25 | 2.13 | -62.17 | 3 | 6 | 0 | 93 | 310.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | -1.28 | -37.72 | 4 | 6 | 1 | 100 | 310.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 1.65 | -10.08 | 2 | 6 | 0 | 92 | 309.325 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 2.07 | -67.5 | 3 | 6 | 0 | 93 | 310.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 1.28 | -16.99 | 2 | 6 | 0 | 95 | 309.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 1.21 | -21.19 | 2 | 6 | 0 | 95 | 309.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 1.6 | -11.96 | 2 | 6 | 0 | 92 | 309.325 | 5 | ↓ |
| 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 | 5300 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAPK2_HUMAN | P49137 | MAP Kinase-activated Protein Kinase 2, Human | 5300 | 0.32 | 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 |
