| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | No |
Popular Name: 1-(2-Phenylethyl)-1H-pyrrole-2,5-dione 1-(2-Phenylethyl)-1H-pyrrole-2,5…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6943-90-4 , [6943-90-4]
1-phenethyl-1H-pyrrole-2,5-dione
1-phenethyl-2,5-dihydro-1H-pyrrole-2,5-dione
| 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) | 1.59 | 6.22 | -8.37 | 0 | 3 | 0 | 39 | 201.225 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 109 - 111 | Enamine Building Blocks |
| MP | 109...111 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A-2-E | Glycogen Synthase Kinase-3 Alpha (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2000 | 0.53 | Binding ≤ 10μM |
| GSK3B-3-E | Glycogen Synthase Kinase-3 Beta (cluster #3 Of 7), Eukaryotic | Eukaryotes | 2000 | 0.53 | Binding ≤ 10μM |
| MGLL-2-E | Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 7610 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 2000 | 0.53 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 2000 | 0.53 | Binding ≤ 10μM |
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 7610 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| Arachidonate production from DAG | |
| 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 | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Regulation of HSF1-mediated heat shock response | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| XBP1(S) activates chaperone genes |
No pre-computed analogs available. Try a structural similarity search.