| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 22 | Yes |
Popular Name: IRAK inhibitor 1 IRAK inhibitor 1
Find On: PubMed — Wikipedia — Google
CAS Number: 1042224-63-4
| 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) | 1.85 | 7.17 | -54.03 | 3 | 5 | 1 | 59 | 294.382 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 7.62 | -81.27 | 4 | 5 | 2 | 60 | 295.39 | 3 | ↓ |
| 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 | 35 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRAK4_HUMAN | Q9NWZ3 | Interleukin-1 Receptor-associated Kinase 4, Human | 35 | 0.47 | Binding ≤ 1μM |
| IRAK4_HUMAN | Q9NWZ3 | Interleukin-1 Receptor-associated Kinase 4, Human | 35 | 0.47 | 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.