| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 26 | 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) | 2.75 | 5.22 | -14.78 | 2 | 6 | 0 | 86 | 371.462 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.07e-01 g/l | DrugBank-experimental |
| Purity | >97% | Fluorochem |
| Indications | antineoplastic | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK-1-E | ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8700 | 0.27 | Binding ≤ 10μM |
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 170 | 0.36 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.37 | Binding ≤ 10μM |
| RET-1-E | Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic | Eukaryotes | 770 | 0.33 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 280 | 0.35 | Binding ≤ 10μM |
| YES-1-E | Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.41 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 0.85 | 0.49 | Binding ≤ 1μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 170 | 0.36 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 130 | 0.37 | Binding ≤ 1μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 770 | 0.33 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 280 | 0.35 | Binding ≤ 1μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 20 | 0.41 | Binding ≤ 1μM |
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 0.85 | 0.49 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 170 | 0.36 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 130 | 0.37 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 8700 | 0.27 | Binding ≤ 10μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 770 | 0.33 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 280 | 0.35 | Binding ≤ 10μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 20 | 0.41 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| PECAM1 interactions | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| VEGFA-VEGFR2 Pathway |
