| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 19 | Yes |
Popular Name: 5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxamide 5-(4-Fluorophenyl)-2-ureidothiop…
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CAS Numbers: 507475-17-4 , [507475-17-4]
| 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) | 1.68 | 0.49 | -11.33 | 5 | 5 | 0 | 98 | 279.296 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | IKK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| E2AK2-1-E | Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.49 | Binding ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.57 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 18 | 0.57 | Binding ≤ 1μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 250 | 0.49 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 22 | 0.56 | Binding ≤ 1μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 18 | 0.57 | Binding ≤ 10μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 250 | 0.49 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 22 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| Downstream TCR signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| Growth hormone receptor signaling | |
| IKK complex recruitment mediated by RIP1 | |
| Inhibition of PKR | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-1 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| ISG15 antiviral mechanism | |
| NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 | |
| NF-kB is activated and signals survival | |
| NOD1/2 Signaling Pathway | |
| p75NTR recruits signalling complexes | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| RIP-mediated NFkB activation via ZBP1 | |
| RMTs methylate histone arginines | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation |
