| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 24 | Yes |
Popular Name: 5-bromo-N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-furamide 5-bromo-N-[3-chloro-2-(4-ethyl-1…
| 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) | 3.97 | 9.63 | -36.05 | 2 | 5 | 1 | 50 | 413.723 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 7.42 | -4.14 | 1 | 5 | 0 | 49 | 412.715 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 360 | 0.38 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 360 | 0.38 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 360 | 0.38 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 1100 | 0.35 | 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 |
