| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | No |
Popular Name: SU-5402 SU-5402
Find On: PubMed — Wikipedia — Google
CAS Numbers: 215543-92-3 , [215543-92-3]
2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid
3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
3-[3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-METHYLIDENYL]-2-INDOLINONE
| 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) | 2.53 | -0.6 | -51.65 | 2 | 5 | -1 | 88 | 295.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | -4.82 | -4.73 | -35.44 | 5 | 8 | 1 | 122 | 272.281 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.14e-01 g/l | DrugBank-experimental |
| Indications | antineoplastic | KeyOrganics Bioactives |
| UniProt Database Links | FGFR3_HUMAN | ChEBI |
| Reactome Database Links | REACT_120841; REACT_121067; REACT_121289; REACT_121386 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.32 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 510 | 0.40 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.41 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.49 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2800 | 0.35 | Functional ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 50 | 0.46 | Functional ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 50 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 30 | 0.48 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 510 | 0.40 | Binding ≤ 1μM |
| VGFR1_MOUSE | P35969 | Vascular Endothelial Growth Factor Receptor 1, Mouse | 400 | 0.41 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 20 | 0.49 | Binding ≤ 1μM |
| FGFR1_MOUSE | P16092 | Fibroblast Growth Factor Receptor 1, Mouse | 10000 | 0.32 | Binding ≤ 10μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 10000 | 0.32 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 510 | 0.40 | Binding ≤ 10μM |
| VGFR1_MOUSE | P35969 | Vascular Endothelial Growth Factor Receptor 1, Mouse | 400 | 0.41 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 20 | 0.49 | Binding ≤ 10μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 2800 | 0.35 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 2800 | 0.35 | Functional ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 50 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated point mutants of FGFR2 | |
| Signaling by FGFR1 amplification mutants | |
| Signaling by FGFR1 fusion mutants |
|
| Signaling by FGFR3 mutants |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| FGFR1c and Klotho ligand binding and activation | |
| FGFR1c ligand binding and activation | |
| FRS2-mediated cascade | |
| Integrin cell surface interactions | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Neurophilin interactions with VEGF and VEGFR | |
| Phospholipase C-mediated cascade | |
| PI-3K cascade | |
| PI3K Cascade | |
| PIP3 activates AKT signaling | |
| SHC-mediated cascade | |
| Signal transduction by L1 | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 amplification mutants | |
| Signaling by PDGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
