| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 26 | No |
Popular Name: 1-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylene)indolin-6-yl]-3-phenyl-urea 1-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylm…
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| 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) | 3.47 | 6.75 | -13.53 | 4 | 6 | 0 | 90 | 344.374 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.47 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.45 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.36 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.48 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 22 | 0.41 | Binding ≤ 10μM |
| Z100405-1-O | MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other | Other | 28 | 0.41 | Functional ≤ 10μM |
| Z80099-1-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 1680 | 0.31 | Functional ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 4010 | 0.29 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 3280 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 230 | 0.36 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 10 | 0.43 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 10 | 0.43 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1 | 0.48 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 22.4 | 0.41 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 230 | 0.36 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 10 | 0.43 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 10 | 0.43 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1 | 0.48 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 22.4 | 0.41 | Binding ≤ 10μM |
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 1680 | 0.31 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 4010 | 0.29 | Functional ≤ 10μM |
| Z100405 | Z100405 | MV4-11 (Myeloid Leukemia Cells) | 28 | 0.41 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 3280 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| Integrin cell surface interactions | |
| Neurophilin interactions with VEGF and VEGFR | |
| PIP3 activates AKT signaling | |
| Regulation of KIT signaling | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
![1-[2-keto-3-(1H-pyrrol-2-ylmethylene)indolin-6-yl]-3-phenyl-urea](http://zinc12.docking.org/img/rings/38726.gif)
