| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 23 | No |
Popular Name: 2-(3,4-dihydroxybenzoyl)-3-(1H-indol-3-yl)prop-2-enenitrile 2-(3,4-dihydroxybenzoyl)-3-(1H-i…
| 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) | 2.54 | 4.18 | -10.75 | 3 | 5 | 0 | 97 | 304.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 5.1 | -48.87 | 2 | 5 | -1 | 100 | 303.297 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.37 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.37 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGFRA_MOUSE | P26618 | Platelet-derived Growth Factor Receptor Alpha, Mouse | 1000 | 0.37 | Binding ≤ 1μM |
| PGFRB_MOUSE | P05622 | Platelet-derived Growth Factor Receptor Beta, Mouse | 1000 | 0.37 | Binding ≤ 1μM |
| PGFRA_MOUSE | P26618 | Platelet-derived Growth Factor Receptor Alpha, Mouse | 1000 | 0.37 | Binding ≤ 10μM |
| PGFRB_MOUSE | P05622 | Platelet-derived Growth Factor Receptor Beta, Mouse | 1000 | 0.37 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 7943.28235 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| PIP3 activates AKT signaling | |
| Signaling by PDGF |
