| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 38 | Yes |
Popular Name: 4-(4-benzylanilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile 4-(4-benzylanilino)-6-methoxy-7-…
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) | 5.63 | 11.89 | -11.43 | 1 | 7 | 0 | 80 | 508.622 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.63 | 14.22 | -47.38 | 2 | 7 | 1 | 81 | 509.63 | 10 | ↓ |
| 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 | 3 | 0.31 | Binding ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 210 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 14 | 0.29 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 14 | 0.29 | Binding ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 210 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ERK1 activation | |
| Interleukin-1 signaling | |
| MEK activation | |
| RAF phosphorylates MEK | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Uptake and function of anthrax toxins |
