| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 32 | Yes |
Popular Name: RWJ-67657 RWJ-67657
Find On: PubMed — Wikipedia — Google
CAS Numbers: 215303-72-3 , [215303-72-3]
| 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) | 4.48 | 12.76 | -11.89 | 1 | 4 | 0 | 51 | 425.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 13.2 | -34.52 | 2 | 4 | 1 | 52 | 426.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 13.06 | -51.7 | 2 | 4 | 1 | 52 | 426.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 13.49 | -96.21 | 3 | 4 | 2 | 53 | 427.523 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.26 | Binding ≤ 10μM |
| Q5SC61-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.29 | Binding ≤ 10μM |
| Z102116-1-O | Toxoplasma Gondii RH (cluster #1 Of 2), Other | Other | 5000 | 0.23 | Functional ≤ 10μM |
| Z50472-1-O | Toxoplasma Gondii (cluster #1 Of 4), Other | Other | 800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1000 | 0.26 | Binding ≤ 1μM |
| Q5SC61_TOXGO | Q5SC61 | Mitogen-activated Protein Kinase 1, Toxgo | 200 | 0.29 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1000 | 0.26 | Binding ≤ 10μM |
| Q5SC61_TOXGO | Q5SC61 | Mitogen-activated Protein Kinase 1, Toxgo | 200 | 0.29 | Binding ≤ 10μM |
| Z50472 | Z50472 | Toxoplasma Gondii | 800 | 0.27 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 5000 | 0.23 | 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 |
