| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 26 | No |
Popular Name: 1-[[5-methoxy-2-(2-thienyl)quinazolin-4-yl]amino]-3-methyl-3-pyrroline-2,5-quinone 1-[[5-methoxy-2-(2-thienyl)quina…
| 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) | 3.25 | 7.83 | -20.46 | 1 | 7 | 0 | 86 | 366.402 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKA-2-E | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1300 | 0.32 | Binding ≤ 10μM |
| IKKB-1-E | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Binding ≤ 10μM |
| TF65-1-E | Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 380 | 0.35 | Binding ≤ 10μM |
| FOS-1-E | Proto-oncogene Protein C-fos (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Functional ≤ 10μM |
| JUN-1-E | Proto-oncogene C-JUN (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Functional ≤ 10μM |
| NFKB1-1-E | Nuclear Factor NF-kappa-B P105 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Functional ≤ 10μM |
| NFKB2-1-E | Nuclear Factor NF-kappa-B P100/p49 Subunits (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Functional ≤ 10μM |
| TF65-1-E | Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.44 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 8 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 62 | 0.39 | Binding ≤ 1μM |
| TF65_HUMAN | Q04206 | Nuclear Factor NF-kappa-B P65 Subunit, Human | 380 | 0.35 | Binding ≤ 1μM |
| IKKA_HUMAN | O15111 | Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit, Human | 1300 | 0.32 | Binding ≤ 10μM |
| IKKB_HUMAN | O14920 | Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit, Human | 62 | 0.39 | Binding ≤ 10μM |
| TF65_HUMAN | Q04206 | Nuclear Factor NF-kappa-B P65 Subunit, Human | 1600 | 0.31 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 8 | 0.44 | Functional ≤ 10μM |
| NFKB2_HUMAN | Q00653 | Nuclear Factor NF-kappa-B P100/p49 Subunits, Human | 8 | 0.44 | Functional ≤ 10μM |
| NFKB1_HUMAN | P19838 | Nuclear Factor NF-kappa-B P105 Subunit, Human | 8 | 0.44 | Functional ≤ 10μM |
| TF65_HUMAN | Q04206 | Nuclear Factor NF-kappa-B P65 Subunit, Human | 8 | 0.44 | Functional ≤ 10μM |
| JUN_HUMAN | P05412 | Proto-oncogene C-JUN, Human | 8 | 0.44 | Functional ≤ 10μM |
| FOS_HUMAN | P01100 | Proto-oncogene Protein C-fos, Human | 8 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| Activation of the AP-1 family of transcription factors | |
| AKT phosphorylates targets in the cytosol | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| Downstream TCR signaling | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| IKK complex recruitment mediated by RIP1 | |
| Interleukin-1 processing | |
| Interleukin-1 signaling | |
| IRAK1 recruits IKK complex | |
| IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation | |
| 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 | |
| Oxidative Stress Induced Senescence | |
| p75NTR recruits signalling complexes | |
| Pre-NOTCH Transcription and Translation | |
| Regulated proteolysis of p75NTR | |
| RIP-mediated NFkB activation via ZBP1 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation | |
| Transcriptional regulation of white adipocyte differentiation |
No pre-computed analogs available. Try a structural similarity search.