| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 28 | Yes |
Popular Name: IRAK inhibitor 6 IRAK inhibitor 6
Find On: PubMed — Wikipedia — Google
CAS Number: [1042672-97-8]
| 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) | 2.78 | 3.93 | -12.01 | 1 | 7 | 0 | 77 | 396.472 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRAK4-1-E | Interleukin-1 Receptor-associated Kinase 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 160 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRAK4_HUMAN | Q9NWZ3 | Interleukin-1 Receptor-associated Kinase 4, Human | 160 | 0.34 | Binding ≤ 1μM |
| IRAK4_HUMAN | Q9NWZ3 | Interleukin-1 Receptor-associated Kinase 4, Human | 160 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interleukin-1 signaling | |
| MyD88 cascade initiated on plasma membrane | |
| MyD88 dependent cascade initiated on endosome | |
| MyD88:Mal cascade initiated on plasma membrane | |
| TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation | |
| TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling |
No pre-computed analogs available. Try a structural similarity search.