| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 25 | Yes |
Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-(3-pyridyl)urea 1-(5-tert-butyl-2-phenyl-pyrazol…
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) | 3.86 | 8.74 | -12.3 | 2 | 6 | 0 | 72 | 335.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 9.03 | -44.08 | 3 | 6 | 1 | 73 | 336.419 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.36 | Binding ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 420 | 0.36 | Binding ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.36 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 420 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 420 | 0.36 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 420 | 0.36 | Binding ≤ 1μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 420 | 0.36 | Binding ≤ 1μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 420 | 0.36 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 420 | 0.36 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 420 | 0.36 | Binding ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 420 | 0.36 | Binding ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 420 | 0.36 | 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 | |
| VEGFA-VEGFR2 Pathway |
