| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 23 | Yes |
Popular Name: 2-(4-phenylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole 2-(4-phenylbutyl)-1,3,4,9-tetrah…
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| 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) | 4.76 | 12.64 | -45.81 | 2 | 2 | 1 | 20 | 305.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 10.29 | -7.25 | 1 | 2 | 0 | 19 | 304.437 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDE2-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.33 | Functional ≤ 10μM |
| NMDZ1-3-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3300 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 3300 | 0.33 | Functional ≤ 10μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 3300 | 0.33 | 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 |
