| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 26 | Yes |
Popular Name: 3-(4-fluorobenzyl)-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate 3-(4-fluorobenzyl)-4-methyl-2-ox…
| 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) | 4.04 | 4.45 | -20.05 | 0 | 5 | 0 | 59 | 355.365 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
| M3K8-1-E | Mitogen-activated Protein Kinase Kinase Kinase 8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
| MP2K1-3-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
| MK01-1-E | MAP Kinase ERK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.36 | Functional ≤ 10μM |
| MK03-1-E | MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.36 | Functional ≤ 10μM |
| MP2K1-2-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 200 | 0.36 | Functional ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 320 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 300 | 0.35 | Binding ≤ 1μM |
| M3K8_HUMAN | P41279 | Mitogen-activated Protein Kinase Kinase Kinase 8, Human | 300 | 0.35 | Binding ≤ 1μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 300 | 0.35 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 300 | 0.35 | Binding ≤ 10μM |
| M3K8_HUMAN | P41279 | Mitogen-activated Protein Kinase Kinase Kinase 8, Human | 300 | 0.35 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 300 | 0.35 | Binding ≤ 10μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 200 | 0.36 | Functional ≤ 10μM |
| MK03_HUMAN | P27361 | MAP Kinase ERK1, Human | 200 | 0.36 | Functional ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 200 | 0.36 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 320 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| ARMS-mediated activation | |
| CD28 dependent PI3K/Akt signaling | |
| CREB phosphorylation through the activation of Ras | |
| ERK/MAPK targets | |
| ERK1 activation | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Frs2-mediated activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| Interleukin-1 signaling | |
| ISG15 antiviral mechanism | |
| MEK activation | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| RAF phosphorylates MEK | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RNA Polymerase I Promoter Opening | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Uptake and function of anthrax toxins |
No pre-computed analogs available. Try a structural similarity search.