| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 23 | No |
Popular Name: 6-nitro-9-sec-butyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione 6-nitro-9-sec-butyl-4,7,8,10-tet…
| 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) | 0.58 | 2.22 | -20.04 | 2 | 8 | 0 | 115 | 318.333 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 1.18 | -47.6 | 1 | 8 | -1 | 118 | 317.325 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1-1-E | Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 280 | 0.40 | Binding ≤ 10μM |
| GRIA2-1-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 280 | 0.40 | Binding ≤ 10μM |
| GRIA3-1-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 280 | 0.40 | Binding ≤ 10μM |
| GRIA4-1-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 280 | 0.40 | Binding ≤ 10μM |
| GRIK1-2-E | Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 850 | 0.37 | Binding ≤ 10μM |
| GRIK2-1-E | Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 850 | 0.37 | Binding ≤ 10μM |
| GRIK3-1-E | Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 850 | 0.37 | Binding ≤ 10μM |
| GRIK4-1-E | Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 850 | 0.37 | Binding ≤ 10μM |
| GRIK5-1-E | Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 850 | 0.37 | Binding ≤ 10μM |
| NMDZ1-3-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 930 | 0.37 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 1600 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 930 | 0.37 | Binding ≤ 1μM |
| GRIK1_RAT | P22756 | Glutamate Receptor Ionotropic Kainate 1, Rat | 850 | 0.37 | Binding ≤ 1μM |
| GRIK2_RAT | P42260 | Glutamate Receptor Ionotropic Kainate 2, Rat | 850 | 0.37 | Binding ≤ 1μM |
| GRIK3_RAT | P42264 | Glutamate Receptor Ionotropic Kainate 3, Rat | 850 | 0.37 | Binding ≤ 1μM |
| GRIK4_RAT | Q01812 | Glutamate Receptor Ionotropic Kainate 4, Rat | 850 | 0.37 | Binding ≤ 1μM |
| GRIK5_RAT | Q63273 | Glutamate Receptor Ionotropic Kainate 5, Rat | 850 | 0.37 | Binding ≤ 1μM |
| GRIA1_MOUSE | P23818 | Glutamate Receptor Ionotropic, AMPA 1, Mouse | 280 | 0.40 | Binding ≤ 1μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 280 | 0.40 | Binding ≤ 1μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 280 | 0.40 | Binding ≤ 1μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 280 | 0.40 | Binding ≤ 1μM |
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 930 | 0.37 | Binding ≤ 10μM |
| GRIK1_RAT | P22756 | Glutamate Receptor Ionotropic Kainate 1, Rat | 850 | 0.37 | Binding ≤ 10μM |
| GRIK2_RAT | P42260 | Glutamate Receptor Ionotropic Kainate 2, Rat | 850 | 0.37 | Binding ≤ 10μM |
| GRIK3_RAT | P42264 | Glutamate Receptor Ionotropic Kainate 3, Rat | 850 | 0.37 | Binding ≤ 10μM |
| GRIK4_RAT | Q01812 | Glutamate Receptor Ionotropic Kainate 4, Rat | 850 | 0.37 | Binding ≤ 10μM |
| GRIK5_RAT | Q63273 | Glutamate Receptor Ionotropic Kainate 5, Rat | 850 | 0.37 | Binding ≤ 10μM |
| GRIA1_MOUSE | P23818 | Glutamate Receptor Ionotropic, AMPA 1, Mouse | 1600 | 0.35 | Binding ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 1600 | 0.35 | Binding ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 1600 | 0.35 | Binding ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 1600 | 0.35 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1600 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of AMPA receptors | |
| Activation of Ca-permeable Kainate Receptor | |
| Activation of Na-permeable Kainate Receptors | |
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Trafficking of GluR2-containing AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
