| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2008 | 23 | Yes |
Popular Name: GSK-3InhibitorXIII GSK-3InhibitorXIII
Find On: PubMed — Wikipedia — Google
CAS Number: 404828-08-6
| 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) | 4.50 | 9.95 | -12.37 | 2 | 5 | 0 | 66 | 301.353 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 10.31 | -27.16 | 3 | 5 | 1 | 68 | 302.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 10.28 | -29.66 | 3 | 5 | 1 | 68 | 302.361 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.57e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-3-E | Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 58 | 0.44 | Binding ≤ 10μM |
| GSK3A-1-E | Glycogen Synthase Kinase-3 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 24 | 0.46 | Binding ≤ 10μM |
| GSK3B-4-E | Glycogen Synthase Kinase-3 Beta (cluster #4 Of 7), Eukaryotic | Eukaryotes | 24 | 0.46 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 81 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 24 | 0.46 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 22 | 0.47 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 58 | 0.44 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 81 | 0.43 | Binding ≤ 1μM |
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 24 | 0.46 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 22 | 0.47 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 58 | 0.44 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 81 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of PLK1 Activity at G2/M Transition | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| Signaling by ERBB2 | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| XBP1(S) activates chaperone genes |
