| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2009 | 32 | No |
Popular Name: CEP-6331 CEP-6331
2-Isopropoxy-12-(2-hydroxyethyl)-13,14-dihydronaphthol[2,1-a]pyrrolo[3,4-c]carbazole-5-one
| 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) | 4.23 | 8.33 | -14.19 | 2 | 5 | 0 | 63 | 426.516 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1190 | 0.26 | Binding ≤ 10μM |
| M3K10-1-E | Mitogen-activated Protein Kinase Kinase Kinase 10 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1855 | 0.25 | Binding ≤ 10μM |
| M3K11-1-E | Mitogen-activated Protein Kinase Kinase Kinase 11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.31 | Binding ≤ 10μM |
| M3K9-1-E | Mitogen-activated Protein Kinase Kinase Kinase 9 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 33 | 0.33 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1055 | 0.26 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2459 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K11_HUMAN | Q16584 | Mitogen-activated Protein Kinase Kinase Kinase 11, Human | 65 | 0.31 | Binding ≤ 1μM |
| M3K9_HUMAN | P80192 | Mitogen-activated Protein Kinase Kinase Kinase 9, Human | 26 | 0.33 | Binding ≤ 1μM |
| M3K10_HUMAN | Q02779 | Mitogen-activated Protein Kinase Kinase Kinase 10, Human | 1855 | 0.25 | Binding ≤ 10μM |
| M3K11_HUMAN | Q16584 | Mitogen-activated Protein Kinase Kinase Kinase 11, Human | 65 | 0.31 | Binding ≤ 10μM |
| M3K9_HUMAN | P80192 | Mitogen-activated Protein Kinase Kinase Kinase 9, Human | 26 | 0.33 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 1055 | 0.26 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 1190 | 0.26 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 2459 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| ARMS-mediated activation | |
| 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 | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| FCGR activation | |
| Frs2-mediated activation | |
| GPVI-mediated activation cascade | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| NGF-independant TRKA activation | |
| PECAM1 interactions | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| PLC-gamma1 signalling | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Retrograde neurotrophin signalling | |
| 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 | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| TRKA activation by NGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway |
