| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 28 | Yes |
Popular Name: N,N-dimethyl-N'-[2-(4-phenylphenyl)quinazolin-4-yl]ethane-1,2-diamine N,N-dimethyl-N'-[2-(4-phenylphen…
| 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) | 5.46 | 13.53 | -48.8 | 2 | 4 | 1 | 42 | 369.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.46 | 11.05 | -10.83 | 1 | 4 | 0 | 41 | 368.484 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 13.87 | -85.43 | 3 | 4 | 2 | 43 | 370.5 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR9-1-E | Toll-like Receptor 9 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5200 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR9_HUMAN | Q9NR96 | Toll-like Receptor 9, Human | 5200 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| MyD88 dependent cascade initiated on endosome | |
| PI3K Cascade | |
| Toll Like Receptor 9 (TLR9) Cascade | |
| TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation | |
| TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling | |
| Trafficking and processing of endosomal TLR |
