| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 28 | Yes |
Popular Name: 7-methoxy-4-[(4-phenoxyphenyl)amino]quinoline-3-carbonitrile 7-methoxy-4-[(4-phenoxyphenyl)am…
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) | 5.69 | 10.14 | -10.85 | 1 | 5 | 0 | 67 | 367.408 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 10.53 | -44.75 | 2 | 5 | 1 | 68 | 368.416 | 5 | ↓ |
| 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 | 90 | 0.35 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 125 | 0.35 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 90 | 0.35 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 125 | 0.35 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 90 | 0.35 | Binding ≤ 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 |
