| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 39 | No |
None
| 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) | 2.70 | 8.61 | -178.11 | 11 | 9 | 3 | 154 | 620.433 | 13 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 8.28 | -95.15 | 10 | 9 | 2 | 152 | 619.425 | 13 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 6.03 | -49.04 | 9 | 9 | 1 | 151 | 618.417 | 13 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 6.36 | -110.16 | 10 | 9 | 2 | 153 | 619.425 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDE1-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 8000 | 0.18 | Binding ≤ 10μM |
| NMDZ1-2-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 8000 | 0.18 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 700 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 700 | 0.22 | Binding ≤ 1μM |
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 8000 | 0.18 | Binding ≤ 10μM |
| NMDE1_RAT | Q00959 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Rat | 8000 | 0.18 | Binding ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 700 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| TRP channels | |
| Unblocking of NMDA receptor, glutamate binding and activation |
