| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2008 | 26 | Yes |
Popular Name: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-…
| 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) | 2.68 | 6.61 | -19.87 | 2 | 5 | 0 | 71 | 340.386 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 6.83 | -51.63 | 3 | 5 | 1 | 72 | 341.394 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.92e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAPK2-1-E | MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.43 | Binding ≤ 10μM |
| MAPK3-1-E | MAP Kinase-activated Protein Kinase 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| MAPK5-1-E | MAP Kinase-activated Protein Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 81 | 0.38 | Binding ≤ 10μM |
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3440 | 0.29 | Binding ≤ 10μM |
| MKNK1-1-E | MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5700 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAPK2_HUMAN | P49137 | MAP Kinase-activated Protein Kinase 2, Human | 49 | 0.39 | Binding ≤ 1μM |
| MAPK3_HUMAN | Q16644 | MAP Kinase-activated Protein Kinase 3, Human | 210 | 0.36 | Binding ≤ 1μM |
| MAPK5_HUMAN | Q8IW41 | MAP Kinase-activated Protein Kinase 5, Human | 81 | 0.38 | Binding ≤ 1μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 3440 | 0.29 | Binding ≤ 10μM |
| MAPK2_HUMAN | P49137 | MAP Kinase-activated Protein Kinase 2, Human | 49 | 0.39 | Binding ≤ 10μM |
| MAPK3_HUMAN | Q16644 | MAP Kinase-activated Protein Kinase 3, Human | 210 | 0.36 | Binding ≤ 10μM |
| MAPK5_HUMAN | Q8IW41 | MAP Kinase-activated Protein Kinase 5, Human | 81 | 0.38 | Binding ≤ 10μM |
| MKNK1_HUMAN | Q9BUB5 | MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human | 5700 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CREB phosphorylation | |
| CREB phosphorylation through the activation of Ras | |
| ERK/MAPK targets | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| phospho-PLA2 pathway | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Spry regulation of FGF signaling | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Tristetraprolin (TTP) destabilizes mRNA | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.