| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 37 | Yes |
Popular Name: 6-methoxy-7-(2-morpholinoethoxy)-4-[(4-phenoxyphenyl)amino]quinoline-3-carbonitrile 6-methoxy-7-(2-morpholinoethoxy)…
None
| 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) | 5.15 | 9.67 | -13.44 | 1 | 8 | 0 | 89 | 496.567 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.15 | 12.04 | -47.61 | 2 | 8 | 1 | 90 | 497.575 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1-3-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 8 | 0.31 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.31 | Binding ≤ 10μM |
| Z80099-1-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 630 | 0.23 | Functional ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 250 | 0.25 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 700 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 25 | 0.29 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 8 | 0.31 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 25 | 0.29 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 8 | 0.31 | Binding ≤ 10μM |
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 630 | 0.23 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 250 | 0.25 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 700 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of Ras | |
| ERK1 activation | |
| GP1b-IX-V activation signalling | |
| Interleukin-1 signaling | |
| MEK activation | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Stimuli-sensing channels | |
| Uptake and function of anthrax toxins |
