| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 32 | Yes |
Popular Name: 2-benzyl-7-(4-fluorophenyl)-8-(4-pyridyl)-3,6-dihydropyrrolo[4,5-e]benzimidazole 2-benzyl-7-(4-fluorophenyl)-8-(4…
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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) | 5.94 | 13.14 | -10.86 | 2 | 4 | 0 | 57 | 418.475 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.94 | 13.55 | -35.76 | 3 | 4 | 1 | 59 | 419.483 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 22 | 0.34 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.32 | Functional ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.32 | Functional ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.32 | Functional ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 22 | 0.34 | Binding ≤ 1μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 22 | 0.34 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 60 | 0.32 | Functional ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 60 | 0.32 | Functional ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 60 | 0.32 | Functional ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 60 | 0.32 | 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 | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| VEGFA-VEGFR2 Pathway |
