| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 26 | Yes |
Popular Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-3H-imidazol-2-yl]benzonitrile 4-[4-(4-fluorophenyl)-5-(4-pyrid…
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) | 4.02 | 10.61 | -11.28 | 1 | 4 | 0 | 65 | 340.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 2 | -46.07 | 2 | 4 | 1 | 66 | 341.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 1.91 | -41.77 | 2 | 4 | 1 | 66 | 341.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 2.11 | -106.82 | 3 | 4 | 2 | 67 | 342.377 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0623126A1; EP0959885A1; US5656644; US5686455; US5916891; WO1993014081A1; WO1995003297A1; WO1998022108A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLR-2-E | Glucagon Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.27 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 100 | 0.38 | Functional ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 100 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 210 | 0.36 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 210 | 0.36 | Binding ≤ 1μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 210 | 0.36 | Binding ≤ 1μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 210 | 0.36 | Binding ≤ 1μM |
| GLR_HUMAN | P47871 | Glucagon Receptor, Human | 8000 | 0.27 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 210 | 0.36 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 210 | 0.36 | Binding ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 210 | 0.36 | Binding ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 210 | 0.36 | Binding ≤ 10μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 100 | 0.38 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 100 | 0.38 | 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 | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Glucagon signaling in metabolic regulation | |
| Glucagon-type ligand receptors | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) | |
| VEGFA-VEGFR2 Pathway |
