| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 23 | Yes |
| 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) | 3.81 | 2.36 | -44.93 | 2 | 7 | -1 | 102 | 312.353 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 4.23 | -9.43 | 3 | 7 | 0 | 99 | 313.361 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 2.33 | -28.91 | 4 | 7 | 1 | 100 | 314.369 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | -2.42 | -27.3 | 4 | 7 | 1 | 100 | 314.369 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR7-1-E | Toll-like Receptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 64 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR7_HUMAN | Q9NYK1 | Toll-like Receptor 7, Human | 63.7 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| MyD88 dependent cascade initiated on endosome | |
| Toll Like Receptor 7/8 (TLR7/8) 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 |
