| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 33 | Yes |
Popular Name: N-[3-(4-isoquinolyl)phenyl]-2-(4-pyridylmethylamino)benzamide N-[3-(4-isoquinolyl)phenyl]-2-(4…
| 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) | 4.78 | 11.48 | -16.26 | 2 | 5 | 0 | 67 | 430.511 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.78 | 12.34 | -92.04 | 4 | 5 | 2 | 69 | 432.527 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.78 | 11.91 | -39.58 | 3 | 5 | 1 | 68 | 431.519 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.78 | 11.91 | -37.21 | 3 | 5 | 1 | 68 | 431.519 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5330 | 0.22 | Binding ≤ 10μM |
| CSF1R-1-E | Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 99 | 0.30 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5100 | 0.22 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 105 | 0.30 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 357 | 0.27 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6800 | 0.22 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.29 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.34 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 52 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 99 | 0.30 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 357 | 0.27 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 105 | 0.30 | Binding ≤ 1μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 130 | 0.29 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1.16 | 0.38 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 52 | 0.31 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 5100 | 0.22 | Binding ≤ 10μM |
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 99 | 0.30 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 357 | 0.27 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 105 | 0.30 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 5330 | 0.22 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 6800 | 0.22 | Binding ≤ 10μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 130 | 0.29 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1.16 | 0.38 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 52 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| Factors involved in megakaryocyte development and platelet production | |
| Integrin cell surface interactions | |
| Neurophilin interactions with VEGF and VEGFR | |
| PIP3 activates AKT signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Role of Abl in Robo-Slit signaling | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by FGFR mutants | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| Tie2 Signaling | |
| 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.