| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 29 | Yes |
Popular Name: VX-702 VX-702
Find On: PubMed — Wikipedia — Google
CAS Numbers: 479543-46-9 , 745833-23-2 , [479543-46-9] , [745833-23-2]
1-(5-carbamoyl-6-(2,4-difluorophenyl)pyridin-2-yl)-1-(2,6-difluorophenyl)urea
6-[carbamoyl-(2,6-difluorophenyl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxamide
| 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) | 3.26 | 5.98 | -25.03 | 4 | 6 | 0 | 102 | 404.323 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | p38 MAPK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AVR2B-1-E | Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 92 | 0.34 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2600 | 0.27 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 780 | 0.29 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.38 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.41 | Binding ≤ 10μM |
| NLK-1-E | Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 160 | 0.33 | Binding ≤ 10μM |
| PI4KB-1-E | PI4-kinase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AVR2B_HUMAN | Q13705 | Activin Receptor Type-2B, Human | 92 | 0.34 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 780 | 0.29 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 3.7 | 0.41 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 17 | 0.38 | Binding ≤ 1μM |
| NLK_HUMAN | Q9UBE8 | Serine/threonine Protein Kinase NLK, Human | 160 | 0.33 | Binding ≤ 1μM |
| AVR2B_HUMAN | Q13705 | Activin Receptor Type-2B, Human | 92 | 0.34 | Binding ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 2600 | 0.27 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 780 | 0.29 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 3.7 | 0.41 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 17 | 0.38 | Binding ≤ 10μM |
| PI4KB_HUMAN | Q9UBF8 | PI4-kinase Beta Subunit, Human | 3300 | 0.26 | Binding ≤ 10μM |
| NLK_HUMAN | Q9UBE8 | Serine/threonine Protein Kinase NLK, Human | 160 | 0.33 | 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 | |
| Ca2+ pathway | |
| CDO in myogenesis | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Regulation of signaling by NODAL | |
| Signaling by Activin | |
| Signaling by BMP | |
| Signaling by NODAL | |
| Synthesis of PIPs at the Golgi membrane | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.