| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2005 | 30 | Yes |
Popular Name: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine N~4~-(3-methyl-1H-indazol-6-yl)-…
None
| 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) | 3.96 | 9.39 | -15.62 | 3 | 9 | 0 | 106 | 406.446 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 9.55 | -42.14 | 4 | 9 | 1 | 107 | 407.454 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 9.53 | -42.76 | 4 | 9 | 1 | 107 | 407.454 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.84e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VGFR2-2-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.38 | Binding ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 180 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 6.3 | 0.38 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 6.3 | 0.38 | Binding ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 180 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| EPHA-mediated growth cone collapse | |
| Integrin cell surface interactions | |
| Neurophilin interactions with VEGF and VEGFR | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
