| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 22 | No |
Popular Name: 4-(8-Methyl-9H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d][1,2]diazepin-5-yl)aniline hydrochloride 4-(8-Methyl-9H-[1,3]dioxolo[4',5…
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CAS Numbers: 102771-26-6 , 102771-26-6; 192065-56-8 , 192065-56-8 , 64584-92-5
| 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) | 2.66 | 5.48 | -12.21 | 2 | 5 | 0 | 69 | 293.326 | 1 | ↓ |
| 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 | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA2-1-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA3-1-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA4-1-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA1-1-E | Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA2-1-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA3-1-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA4-1-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.32 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Z50501-1-O | Gallus Gallus (cluster #1 Of 3), Other | Other | 9500 | 0.32 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 9900 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1_RAT | P19490 | Glutamate Receptor Ionotropic, AMPA 1, Rat | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 9000 | 0.32 | Binding ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 9000 | 0.32 | Binding ≤ 10μM |
| Z50501 | Z50501 | Gallus Gallus | 6300 | 0.33 | Functional ≤ 10μM |
| GRIA1_RAT | P19490 | Glutamate Receptor Ionotropic, AMPA 1, Rat | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 10000 | 0.32 | Functional ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 10000 | 0.32 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.32 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 6900 | 0.33 | Functional ≤ 10μM |
