| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 22 | No |
Popular Name: 4-(2-naphthyl)-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione 4-(2-naphthyl)-5-(4-pyridyl)-2H-…
| 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) | 3.67 | 10.53 | -49.45 | 0 | 4 | -1 | 44 | 303.37 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 10.46 | -11.12 | 1 | 4 | 0 | 47 | 304.378 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2980 | 0.35 | Binding ≤ 10μM |
| MK10-2-E | C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 559 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 559 | 0.40 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 2980 | 0.35 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 559 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Oxidative Stress Induced Senescence |
