| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 34 | Yes |
Popular Name: 4-chloro-3-[5-methyl-3-[4-(3-pyrrolidin-1-ylpropyl)anilino]-1,2,4-benzotriazin-7-yl]phenol 4-chloro-3-[5-methyl-3-[4-(3-pyr…
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) | 6.92 | 14.15 | -44.91 | 3 | 6 | 1 | 75 | 475.016 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.36 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.35 | Binding ≤ 10μM |
| YES-1-E | Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 0.1 | 0.41 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1.5 | 0.36 | Binding ≤ 1μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 4.8 | 0.34 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 2.7 | 0.35 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 0.1 | 0.41 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1.5 | 0.36 | Binding ≤ 10μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 4.8 | 0.34 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 2.7 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CD28 co-stimulation | |
| CDO in myogenesis | |
| CTLA4 inhibitory signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| FCGR activation | |
| Integrin cell surface interactions | |
| Neurophilin interactions with VEGF and VEGFR | |
| PECAM1 interactions | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of Abl in Robo-Slit signaling | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
