| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 35 | Yes |
Popular Name: MK-2461 MK-2461
Find On: PubMed — Wikipedia — Google
CAS Numbers: 917879-39-1 , [917879-39-1]
| 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) | 1.72 | 5.04 | -16.82 | 1 | 10 | 0 | 116 | 495.561 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.56 | -53.48 | 0 | 10 | -1 | 118 | 494.553 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | c-Met, FGFR, PDGFR | 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 | 7800 | 0.20 | Binding ≤ 10μM |
| AURKA-2-E | Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic | Eukaryotes | 290 | 0.26 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.29 | Binding ≤ 10μM |
| FGFR2-1-E | Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 39 | 0.30 | Binding ≤ 10μM |
| FGFR3-1-E | Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.29 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.31 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.27 | Binding ≤ 10μM |
| MERTK-1-E | Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.30 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.35 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 46 | 0.29 | Binding ≤ 10μM |
| NTRK2-1-E | Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 61 | 0.29 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.28 | Binding ≤ 10μM |
| RET-1-E | Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic | Eukaryotes | 640 | 0.25 | Binding ≤ 10μM |
| RON-1-E | Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.33 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.32 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 44 | 0.29 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 78 | 0.28 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.24 | ADME/T ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 7100 | 0.21 | ADME/T ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 1000 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 65 | 0.29 | Binding ≤ 1μM |
| FGFR2_HUMAN | P21802 | Fibroblast Growth Factor Receptor 2, Human | 39 | 0.30 | Binding ≤ 1μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 50 | 0.29 | Binding ≤ 1μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 100 | 0.28 | Binding ≤ 1μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 7 | 0.33 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 46 | 0.29 | Binding ≤ 1μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 61 | 0.29 | Binding ≤ 1μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 100 | 0.28 | Binding ≤ 1μM |
| MERTK_HUMAN | Q12866 | Proto-oncogene Tyrosine-protein Kinase MER, Human | 24 | 0.30 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 290 | 0.26 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 230 | 0.27 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 22 | 0.31 | Binding ≤ 1μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 640 | 0.25 | Binding ≤ 1μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 10 | 0.32 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 44 | 0.29 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 78 | 0.28 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 65 | 0.29 | Binding ≤ 10μM |
| FGFR2_HUMAN | P21802 | Fibroblast Growth Factor Receptor 2, Human | 39 | 0.30 | Binding ≤ 10μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 50 | 0.29 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 100 | 0.28 | Binding ≤ 10μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 7 | 0.33 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 46 | 0.29 | Binding ≤ 10μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 61 | 0.29 | Binding ≤ 10μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 100 | 0.28 | Binding ≤ 10μM |
| MERTK_HUMAN | Q12866 | Proto-oncogene Tyrosine-protein Kinase MER, Human | 24 | 0.30 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 290 | 0.26 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 7800 | 0.20 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 230 | 0.27 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 22 | 0.31 | Binding ≤ 10μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 640 | 0.25 | Binding ≤ 10μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 10 | 0.32 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 44 | 0.29 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 78 | 0.28 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 1000 | 0.24 | Functional ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 1200 | 0.24 | ADME/T ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 7100 | 0.21 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Activated point mutants of FGFR2 | |
| Aflatoxin activation and detoxification | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| ARMS-mediated activation | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CYP2E1 reactions | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| Factors involved in megakaryocyte development and platelet production | |
| Frs2-mediated activation | |
| Growth hormone receptor signaling | |
| Integrin cell surface interactions | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Neurophilin interactions with VEGF and VEGFR | |
| NGF-independant TRKA activation | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| PLC-gamma1 signalling | |
| Prolactin receptor signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of IFNG signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Retrograde neurotrophin signalling | |
| RMTs methylate histone arginines | |
| Role of Abl in Robo-Slit signaling | |
| Sema4D mediated inhibition of cell attachment and migration | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by activated point mutants of FGFR3 | |
| Signaling by FGFR mutants | |
| Signaling by FGFR2 amplification mutants | |
| Signaling by FGFR3 mutants | |
| Signaling by Leptin | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| t(4;14) translocations of FGFR3 | |
| TRKA activation by NGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.