| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one 5-Phenyl-1,3-dihydrobenzo[e][1,4…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2898-08-0 , [2898-08-0]
1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
5-Phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
5-Phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
| 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) | 2.21 | 4.77 | -9.17 | 1 | 3 | 0 | 41 | 236.274 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 5.65 | -29.82 | 2 | 3 | 1 | 43 | 237.282 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1-1-E | GABA Receptor Alpha-1 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 286 | 0.51 | Binding ≤ 10μM |
| GBRA2-1-E | GABA Receptor Alpha-2 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 233 | 0.52 | Binding ≤ 10μM |
| GBRA3-1-E | GABA Receptor Alpha-3 Subunit (cluster #1 Of 8), Eukaryotic | Eukaryotes | 350 | 0.50 | Binding ≤ 10μM |
| GBRA5-6-E | GABA Receptor Alpha-5 Subunit (cluster #6 Of 8), Eukaryotic | Eukaryotes | 140 | 0.53 | Binding ≤ 10μM |
| GBRB3-1-E | GABA Receptor Beta-3 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 350 | 0.50 | Binding ≤ 10μM |
| GBRG2-1-E | GABA Receptor Gamma-2 Subunit (cluster #1 Of 7), Eukaryotic | Eukaryotes | 350 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 286 | 0.51 | Binding ≤ 1μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 233 | 0.52 | Binding ≤ 1μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 350 | 0.50 | Binding ≤ 1μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 140 | 0.53 | Binding ≤ 1μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 140 | 0.53 | Binding ≤ 1μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 140 | 0.53 | Binding ≤ 1μM |
| GBRA1_HUMAN | P14867 | GABA Receptor Alpha-1 Subunit, Human | 286 | 0.51 | Binding ≤ 10μM |
| GBRA2_HUMAN | P47869 | GABA Receptor Alpha-2 Subunit, Human | 233 | 0.52 | Binding ≤ 10μM |
| GBRA3_HUMAN | P34903 | GABA Receptor Alpha-3 Subunit, Human | 350 | 0.50 | Binding ≤ 10μM |
| GBRA5_HUMAN | P31644 | GABA Receptor Alpha-5 Subunit, Human | 140 | 0.53 | Binding ≤ 10μM |
| GBRB3_HUMAN | P28472 | GABA Receptor Beta-3 Subunit, Human | 140 | 0.53 | Binding ≤ 10μM |
| GBRG2_HUMAN | P18507 | GABA Receptor Gamma-2 Subunit, Human | 140 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| GABA A receptor activation | |
| Ligand-gated ion channel transport |
