| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: 5-bromo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione 5-bromo-7-(trifluoromethyl)-1,2,…
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CAS Number: 153504-79-1
| 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) | 1.34 | -0.17 | -9.29 | 2 | 4 | 0 | 65 | 309.041 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMD3A-5-E | Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| NMD3B-5-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| NMDE3-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| NMDZ1-3-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 2500 | 0.46 | Binding ≤ 10μM |
| NMD3A_RAT | Q9R1M7 | Glutamate [NMDA] Receptor Subunit 3A, Rat | 2500 | 0.46 | Binding ≤ 10μM |
| NMD3B_RAT | Q8VHN2 | Glutamate [NMDA] Receptor Subunit 3B, Rat | 2500 | 0.46 | Binding ≤ 10μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 2500 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
No pre-computed analogs available. Try a structural similarity search.