| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 33 | Yes |
Popular Name: GW 843682X GW 843682X
Find On: PubMed — Wikipedia — Google
CAS Numbers: 660868-91-7 , [660868-91-7]
| 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) | 4.09 | 0.74 | -14.76 | 2 | 7 | 0 | 88 | 477.464 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4800 | 0.23 | Binding ≤ 10μM |
| CSF1R-1-E | Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 620 | 0.26 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 160 | 0.29 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.37 | Binding ≤ 10μM |
| PLK3-1-E | Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.34 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 360 | 0.27 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 92 | 0.30 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 558 | 0.27 | Functional ≤ 10μM |
| Z80330-1-O | NCI-N87 (cluster #1 Of 1), Other | Other | 601 | 0.26 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 6820 | 0.22 | Functional ≤ 10μM |
| Z80427-1-O | RKO (Colon Carcinoma) (cluster #1 Of 1), Other | Other | 398 | 0.27 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 411 | 0.27 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 699 | 0.26 | Functional ≤ 10μM |
| Z80961-1-O | HN5 (Squamous Cell Carcinoma) (cluster #1 Of 1), Other | Other | 678 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 620 | 0.26 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 160 | 0.29 | Binding ≤ 1μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 2 | 0.37 | Binding ≤ 1μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 9 | 0.34 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 360 | 0.27 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 92 | 0.30 | Binding ≤ 1μM |
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 620 | 0.26 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 160 | 0.29 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 4800 | 0.23 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 2 | 0.37 | Binding ≤ 10μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 9 | 0.34 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 360 | 0.27 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 92 | 0.30 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 411 | 0.27 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 699 | 0.26 | Functional ≤ 10μM |
| Z80961 | Z80961 | HN5 (Squamous Cell Carcinoma) | 678 | 0.26 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 558 | 0.27 | Functional ≤ 10μM |
| Z80330 | Z80330 | NCI-N87 | 601 | 0.26 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 6820 | 0.22 | Functional ≤ 10μM |
| Z80427 | Z80427 | RKO (Colon Carcinoma) | 398 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cyclin A/B1 associated events during G2/M transition | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Integrin cell surface interactions | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| Neurophilin interactions with VEGF and VEGFR | |
| Phosphorylation of Emi1 | |
| Phosphorylation of the APC/C | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Signaling by PDGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.