| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 33 | No |
| 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) | 4.22 | -0.72 | -49.13 | 3 | 6 | 1 | 75 | 439.539 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.28e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2D-1-E | CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1890 | 0.24 | Binding ≤ 10μM |
| SIRT2-3-E | NAD-dependent Deacetylase Sirtuin 2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 8300 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2D_HUMAN | Q13557 | CaM Kinase II Delta, Human | 1890 | 0.24 | Binding ≤ 10μM |
| SIRT2_HUMAN | Q8IXJ6 | NAD-dependent Deacetylase Sirtuin 2, Human | 8300 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| HSF1-dependent transactivation | |
| Interferon gamma signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Trafficking of AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
