| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 26 | No |
1-(4-AMINOPHENYL)-3-METHYLCARBAMOYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYDRO-5H-2,3-BENZODIAZEPINE
| 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) | 3.02 | -2.64 | -11.74 | 3 | 7 | 0 | 89 | 352.394 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1-1-E | Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA2-1-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA3-1-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA4-1-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1_RAT | P19490 | Glutamate Receptor Ionotropic, AMPA 1, Rat | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 1000 | 0.32 | Functional ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 1000 | 0.32 | Functional ≤ 10μM |
