| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 25 | No |
Popular Name: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-hydroxyimino-6-methyl-indolin-2-one (3Z)-1-[(6-fluoro-4H-1,3-benzodi…
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) | 3.19 | 7.04 | -14.11 | 1 | 6 | 0 | 73 | 342.326 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 8.17 | -65.95 | 0 | 6 | -1 | 76 | 341.318 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.30 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 450 | 0.36 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 70 | 0.40 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 450 | 0.36 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 70 | 0.40 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 90 | 0.39 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 450 | 0.36 | Binding ≤ 10μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 70 | 0.40 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 90 | 0.39 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 4000 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of the AP-1 family of transcription factors | |
| DSCAM interactions | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Oxidative Stress Induced Senescence |
