| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: 4-(1-ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine 4-(1-ethyl-1H-benzimidazol-2-yl)…
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CAS Number: 293760-29-9
4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine
4-(1-Ethyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
| 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) | 1.93 | 5.57 | -6.64 | 2 | 6 | 0 | 83 | 229.243 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B-4-E | Glycogen Synthase Kinase-3 Beta (cluster #4 Of 7), Eukaryotic | Eukaryotes | 700 | 0.51 | Binding ≤ 10μM |
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 960 | 0.50 | Binding ≤ 10μM |
| KS6A5-1-E | Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 140 | 0.56 | Binding ≤ 10μM |
| KS6B1-2-E | Ribosomal Protein S6 Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 50 | 0.60 | Binding ≤ 10μM |
| ROCK1-1-E | Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 330 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 960 | 0.50 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 700 | 0.51 | Binding ≤ 1μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 330 | 0.53 | Binding ≤ 1μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 50 | 0.60 | Binding ≤ 1μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 140 | 0.56 | Binding ≤ 1μM |
| KAPCA_HUMAN | P17612 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human | 960 | 0.50 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 700 | 0.51 | Binding ≤ 10μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 330 | 0.53 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 50 | 0.60 | Binding ≤ 10μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 140 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| Apoptotic cleavage of cellular proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| CRMPs in Sema3A signaling | |
| DARPP-32 events | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK/MAPK targets | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (12/13) signalling events | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| Gluconeogenesis | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| NCAM signaling for neurite out-growth | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| PKA-mediated phosphorylation of CREB | |
| PKA-mediated phosphorylation of key metabolic factors | |
| Rap1 signalling | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recycling pathway of L1 | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of insulin secretion | |
| 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 | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| Sema4D induced cell migration and growth-cone collapse | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| VEGFA-VEGFR2 Pathway |
