| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 36 | Yes |
Popular Name: 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[3,2-e]pyrimidin-4-amine 7-[4-(4-methylpiperazin-1-yl)cyc…
| 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) | 4.54 | 14.42 | -43.88 | 3 | 7 | 1 | 74 | 483.64 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 11.94 | -10.37 | 2 | 7 | 0 | 72 | 482.632 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 14.23 | -48.13 | 3 | 7 | 1 | 74 | 483.64 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 14.89 | -83.11 | 4 | 7 | 2 | 75 | 484.648 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK-1-E | Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.25 | Binding ≤ 10μM |
| CSK-1-E | Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4270 | 0.21 | Binding ≤ 10μM |
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2030 | 0.22 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 240 | 0.26 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 430 | 0.25 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 42 | 0.29 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5850 | 0.20 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1190 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 370 | 0.25 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 15 | 0.30 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 430 | 0.25 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 42 | 0.29 | Binding ≤ 1μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 250 | 0.26 | Binding ≤ 1μM |
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 370 | 0.25 | Binding ≤ 10μM |
| CSK_HUMAN | P41240 | Tyrosine-protein Kinase CSK, Human | 4270 | 0.21 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 2030 | 0.22 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 15 | 0.30 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 430 | 0.25 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1190 | 0.23 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 250 | 0.26 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1190 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Downstream TCR signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| Tie2 Signaling | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
