| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2007 | 28 | Yes |
Popular Name: 6-iodo-3-(2-methoxyphenyl)-2-[2-(3-pyridyl)vinyl]quinazolin-4-one 6-iodo-3-(2-methoxyphenyl)-2-[2-…
| 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) | 4.67 | 0.54 | -13.72 | 0 | 5 | 0 | 57 | 481.293 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.67 | 0.64 | -48.08 | 1 | 5 | 1 | 58 | 482.301 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDE3-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.28 | Functional ≤ 10μM |
| NMDE4-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.28 | Functional ≤ 10μM |
| NMDZ1-3-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 3000 | 0.28 | Functional ≤ 10μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 3000 | 0.28 | Functional ≤ 10μM |
| NMDE4_RAT | Q62645 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Rat | 3000 | 0.28 | Functional ≤ 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 |
