| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 33 | No |
Popular Name: Sotrastaurin Sotrastaurin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1058706-32-3 , 425637-18-9 , 908351-31-5 , [425637-18-9]
3-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dione
908351-31-5; D09718; Sotrastaurin acetate (USAN)
| 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) | 3.64 | -4.56 | -45.41 | 3 | 8 | 1 | 99 | 439.499 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | immunosuppressive | KeyOrganics Bioactives |
| Target | PKC | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3300 | 0.23 | Binding ≤ 10μM |
| CCNA1-1-E | Cyclin A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2300 | 0.24 | Binding ≤ 10μM |
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2300 | 0.24 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2300 | 0.24 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8300 | 0.22 | Binding ≤ 10μM |
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5500 | 0.22 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 870 | 0.26 | Binding ≤ 10μM |
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7300 | 0.22 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.25 | Binding ≤ 10μM |
| KPCA-5-E | Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic | Eukaryotes | 2 | 0.37 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6 | 0.35 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6 | 0.35 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5400 | 0.22 | Binding ≤ 10μM |
| PDK1-1-E | Pyruvate Dehydrogenase Kinase Isoform 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6700 | 0.22 | Binding ≤ 10μM |
| UFO-1-E | Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9100 | 0.21 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3900 | 0.23 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 870 | 0.26 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2.1 | 0.37 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 1.3 | 0.38 | Binding ≤ 1μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 6.2 | 0.35 | Binding ≤ 1μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 6.1 | 0.35 | Binding ≤ 1μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 1 | 0.38 | Binding ≤ 1μM |
| CCNA1_HUMAN | P78396 | Cyclin A1, Human | 2300 | 0.24 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 2300 | 0.24 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 2300 | 0.24 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 8300 | 0.22 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 870 | 0.26 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2.1 | 0.37 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 1.3 | 0.38 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 6.2 | 0.35 | Binding ≤ 10μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 6.1 | 0.35 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 1 | 0.38 | Binding ≤ 10μM |
| KPCZ_HUMAN | Q05513 | Protein Kinase C Zeta, Human | 5400 | 0.22 | Binding ≤ 10μM |
| PDK1_HUMAN | Q15118 | Pyruvate Dehydrogenase Kinase Isoform 1, Human | 6700 | 0.22 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 3300 | 0.23 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 5500 | 0.22 | Binding ≤ 10μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 7300 | 0.22 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1500 | 0.25 | Binding ≤ 10μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 9100 | 0.21 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 3900 | 0.23 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 4600 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| APC truncation mutants have impaired AXIN binding | |
| Apoptotic cleavage of cellular proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DAG and IP3 signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| Disinhibition of SNARE formation | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downstream TCR signaling | |
| E2F mediated regulation of DNA replication | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| G alpha (z) signalling events | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| GPVI-mediated activation cascade | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| ISG15 antiviral mechanism | |
| Meiotic recombination | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| Netrin-1 signaling | |
| Neurophilin interactions with VEGF and VEGFR | |
| Orc1 removal from chromatin | |
| p130Cas linkage to MAPK signaling for integrins | |
| p53-Dependent G1 DNA Damage Response | |
| PECAM1 interactions | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Regulation of KIT signaling | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| Regulation of signaling by CBL | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of Abl in Robo-Slit signaling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Trafficking of GluR2-containing AMPA receptors | |
| truncations of AMER1 destabilize the destruction complex | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
