| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 38 | Yes |
Popular Name: 1-[3-[(6-amino-4-quinolyl)amino]phenyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]urea 1-[3-[(6-amino-4-quinolyl)amino]…
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) | 6.64 | 12.27 | -39.9 | 6 | 8 | 1 | 111 | 506.634 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.64 | 11.85 | -15.05 | 5 | 8 | 0 | 110 | 505.626 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 310 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 290 | 0.24 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 290 | 0.24 | 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 |
