| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 33 | Yes |
Popular Name: 7-(2-chlorophenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine 7-(2-chlorophenyl)-5-methyl-N-[4…
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| 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) | 6.78 | 15.14 | -39.49 | 2 | 6 | 1 | 64 | 460.989 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.78 | 12.58 | -9.87 | 1 | 6 | 0 | 63 | 459.981 | 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 | 42 | 0.31 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 35 | 0.32 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.24 | Binding ≤ 10μM |
| YES-1-E | Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 42 | 0.31 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 35 | 0.32 | Binding ≤ 1μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 22 | 0.32 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 42 | 0.31 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 35 | 0.32 | Binding ≤ 10μM |
| YES_HUMAN | P07947 | Tyrosine-protein Kinase YES, Human | 22 | 0.32 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1900 | 0.24 | 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 |
